A0A3Q0KGT2_SCHMA Loading...

GrpE protein homolog

Essential component of the PAM complex, a complex required for the translocation of transit peptide-containing proteins from the inner membrane into the mitochondrial matrix in an ATP-dependent manner.

AlphaFold DB , UniProt , Accession A0A3Q0KGT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 222 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	39.2	Very low	254 Å²	254	162.5 Å²	162.5	100%	1.251	87%	0.87	S	S	*	*				0	39.7	0	-128.3	-172.8	-137.5	0	0	112
2	A	36.2	Very low	38.9	Very low	96 Å²	96	157.3 Å²	157.3	79%	0.793	86%	0.856	S	S	*	*			trans	-158	42.4	-176.3	0	0	0	0	0	113.1
3	L	34.8	Very low	38.8	Very low	183 Å²	183	154.4 Å²	154.4	96%	0.958	85%	0.846	S	S	*	*			trans	-111.3	14.4	179.3	-93.6	153.8	0	0	0	113.1
4	S	44.6	Very low	38.6	Very low	106 Å²	106	155.1 Å²	155.1	74%	0.741	84%	0.839	S	S	*	*			trans	-108.2	11.5	-166.1	57.5	0	0	0	0	117
5	I	48.1	Very low	38.2	Very low	154 Å²	154	154.3 Å²	154.3	79%	0.79	83%	0.834	S	S	*	*	S	Bend	trans	-108	-9.5	-171.9	-62.6	179.6	0	0	0	115.2
6	V	42	Very low	38.1	Very low	148 Å²	148	153.1 Å²	153.1	90%	0.897	83%	0.827	S	S	*	*	S	Bend	trans	-99.1	11.1	-175	-170.8	0	0	0	0	114.4	R8	V6-R8 PolarHBondContact O-N 3.1Å
7	A	41	Very low	38.3	Very low	96 Å²	96	150.8 Å²	150.8	79%	0.793	82%	0.819	S	S	*	*			trans	-102.5	60.6	178.4	0	0	0	0	0	112.4
8	R	38.9	Very low	38.6	Very low	234 Å²	234	148.4 Å²	148.4	88%	0.883	81%	0.81	S	S	*	*			trans	-158	53.6	176.6	-118.6	-175.6	-159.3	167.4	4.8	115.2	V6	V6-R8 PolarHBondContact O-N 3.1Å
9	F	37.5	Very low	38.8	Very low	185 Å²	185	147.8 Å²	147.8	81%	0.811	80%	0.801	S	S	*	*			trans	-154.9	43.9	154.1	-137	-99.4	0	0	0	113.7	R11	F9-R11 HydrophobicContact CE1-CB 4.35Å; F9-R11 PolarHBondContact O-N 2.88Å; F9-R11 VanDerWaalsContact O-N 3.08Å
10	S	34.6	Very low	38.7	Very low	124 Å²	124	147.3 Å²	147.3	87%	0.867	80%	0.797	S	S	*	*			trans	-78	72.5	156	-66.7	0	0	0	0	108.7	S12	S10-S12 PolarHBondContact O-N 2.75Å
11	R	38.2	Very low	38.9	Very low	207 Å²	207	148.1 Å²	148.1	78%	0.781	80%	0.796	S	S	*	*			trans	-91.3	88.7	159.9	-107.6	-174.6	-168.8	-156.6	3.3	107.5	F9 V13	F9-R11 HydrophobicContact CE1-CB 4.35Å; F9-R11 PolarHBondContact O-N 2.88Å; F9-R11 VanDerWaalsContact O-N 3.08Å; R11-V13 PolarHBondContact O-N 3.45Å
12	S	36.1	Very low	39.3	Very low	100 Å²	100	144.2 Å²	144.2	70%	0.699	77%	0.772	S	S	*	*			trans	-49.9	104.2	160.3	-61.7	0	0	0	0	109.3	S10 H14	S10-S12 PolarHBondContact O-N 2.75Å; S12-H14 PolarHBondContact O-N 3.36Å
13	V	37.3	Very low	39.3	Very low	120 Å²	120	147.4 Å²	147.4	73%	0.727	77%	0.768	S	S	*	*			trans	-84.5	76.4	150.7	-175.6	0	0	0	0	105.1	R11 L15	R11-V13 PolarHBondContact O-N 3.45Å; V13-L15 VanDerWaalsContact C-N 3.29Å; V13-L15 HydrophobicContact CG1-CD1 3.92Å; V13-L15 HydrophobicContact CG1-CG 4.4Å; V13-L15 PolarHBondContact O-N 3.19Å; V13-L15 VanDerWaalsContact O-N 3.13Å
14	H	35.4	Very low	39.4	Very low	164 Å²	164	149.6 Å²	149.6	76%	0.759	76%	0.763	S	S	*	*			trans	-67	101.6	155	-108.9	40.2	0	0	0	104.6	S12 D16	S12-H14 PolarHBondContact O-N 3.36Å; H14-D16 PolarHBondContact O-N 2.96Å; H14-D16 VanDerWaalsContact O-N 3.08Å
15	L	32.7	Very low	38.6	Very low	144 Å²	144	148.9 Å²	148.9	75%	0.754	76%	0.758	S	S	*	*			trans	-61.5	112.9	162.8	-90.7	105.5	0	0	0	106.4	V13 T17	V13-L15 VanDerWaalsContact C-N 3.29Å; V13-L15 HydrophobicContact CG1-CD1 3.92Å; V13-L15 HydrophobicContact CG1-CG 4.4Å; V13-L15 PolarHBondContact O-N 3.19Å; V13-L15 VanDerWaalsContact O-N 3.13Å; L15-T17 VanDerWaalsContact C-N 3.34Å; L15-T17 PolarHBondContact O-N 3.42Å
16	D	36.9	Very low	38.3	Very low	135 Å²	135	146.3 Å²	146.3	72%	0.722	75%	0.751	S	S	*	*			trans	-50.4	94.1	169	-76	-46.7	0	0	0	110.2	H14 T18	H14-D16 PolarHBondContact O-N 2.96Å; H14-D16 VanDerWaalsContact O-N 3.08Å; D16-T18 PolarHBondContact O-N 3.09Å
17	T	42.6	Very low	38.6	Very low	114 Å²	114	144.8 Å²	144.8	70%	0.699	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-74.1	4.7	165.2	47.5	0	0	0	0	112.1	L15 H19 L20	L15-T17 VanDerWaalsContact C-N 3.34Å; L15-T17 PolarHBondContact O-N 3.42Å; T17-H19 PolarHBondContact O-N 3.2Å; T17-L20 PolarHBondContact O-N 3.45Å
18	T	43.7	Very low	38.7	Very low	107 Å²	107	147 Å²	147	66%	0.656	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-72.4	-4.8	177.8	52.5	0	0	0	0	113.8	D16	D16-T18 PolarHBondContact O-N 3.09Å
19	H	40.8	Very low	38.9	Very low	138 Å²	138	140 Å²	140	64%	0.639	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-94.3	1.8	172.8	-148.5	-78.4	0	0	0	114.9	T17	T17-H19 PolarHBondContact O-N 3.2Å
20	L	38.5	Very low	39.5	Very low	136 Å²	136	136.3 Å²	136.3	71%	0.712	73%	0.725	S	S	*	*	S	Bend	trans	-105.4	-5.5	177.3	-71.8	175.9	0	0	0	115.2	T17 K22	T17-L20 PolarHBondContact O-N 3.45Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 3.25Å
21	E	41	Very low	40.1	Very low	166 Å²	166	137 Å²	137	78%	0.776	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-78.3	-7.9	173.3	-87.1	-169.8	144.3	0	0	114.6	F23	E21-F23 VanDerWaalsContact C-N 3.3Å; E21-F23 PolarHBondContact O-N 2.92Å
22	K	44.3	Very low	40.2	Very low	171 Å²	171	137 Å²	137	74%	0.743	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-80.3	-1.2	177.2	-75	-174.1	179.9	177.6	0	115.3	L20	L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 3.25Å
23	F	36.2	Very low	40.2	Very low	164 Å²	164	135.1 Å²	135.1	72%	0.719	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-109.7	18.7	177.8	-77.7	-76.1	0	0	0	114.6	E21 C25	E21-F23 VanDerWaalsContact C-N 3.3Å; E21-F23 PolarHBondContact O-N 2.92Å; F23-C25 PolarHBondContact O-N 3.43Å
24	R	36.6	Very low	40.4	Very low	228 Å²	228	139.9 Å²	139.9	86%	0.86	73%	0.732	S	S	*	*			trans	-74.7	82.4	163.4	-166.3	164.5	174.4	166.8	-3.7	108.6	P26	R24-P26 WeakPolarHBondContact O-CD 3.45Å; R24-P26 VanDerWaalsContact O-N 3.14Å
25	C	29.2	Very low	40.4	Very low	92 Å²	92	142.4 Å²	142.4	62%	0.622	74%	0.741	S	S	*	*			trans	-50.9	117.1	173.6	-69.8	0	0	0	0	109.2	F23 V27	F23-C25 PolarHBondContact O-N 3.43Å; C25-V27 HydrophobicContact CB-CG2 3.93Å; C25-V27 PolarHBondContact O-N 3.37Å
26	P	41.4	Very low	40.4	Very low	100 Å²	100	138.3 Å²	138.3	65%	0.649	73%	0.733	S	S	*	*			trans	-80.8	75	177.7	33.2	-31	0	0	0	108.3	R24 T28	R24-P26 WeakPolarHBondContact O-CD 3.45Å; R24-P26 VanDerWaalsContact O-N 3.14Å; P26-T28 PolarHBondContact O-N 3Å
27	V	48.7	Very low	40.3	Very low	115 Å²	115	139.8 Å²	139.8	70%	0.697	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-3.3	177.5	-174.8	0	0	0	0	111.8	C25	C25-V27 HydrophobicContact CB-CG2 3.93Å; C25-V27 PolarHBondContact O-N 3.37Å
28	T	42.8	Very low	39.9	Very low	143 Å²	143	144 Å²	144	88%	0.877	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	10.2	-176.4	52.1	0	0	0	0	116.3	P26	P26-T28 PolarHBondContact O-N 3Å
29	S	42.6	Very low	39.5	Very low	86 Å²	86	147.1 Å²	147.1	60%	0.601	76%	0.764	S	S	*	*	S	Bend	trans	-110.2	-12.8	176.2	60.6	0	0	0	0	116.2
30	V	49.8	Very low	39.1	Very low	109 Å²	109	148.1 Å²	148.1	66%	0.661	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-82.8	-23.9	-175.6	-177.9	0	0	0	0	113.4	K32	V30-K32 VanDerWaalsContact C-N 3.31Å; V30-K32 PolarHBondContact O-N 2.93Å
31	V	46.4	Very low	38.9	Very low	138 Å²	138	153.1 Å²	153.1	84%	0.836	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-80.7	-8.1	-175.3	-171.4	0	0	0	0	113.4
32	K	40.3	Very low	38.6	Very low	207 Å²	207	154.1 Å²	154.1	90%	0.9	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-97.2	8.7	-179	-131.4	160.5	-173.8	171	0	115.2	V30	V30-K32 VanDerWaalsContact C-N 3.31Å; V30-K32 PolarHBondContact O-N 2.93Å
33	G	37.7	Very low	38.1	Very low	60 Å²	60	155.1 Å²	155.1	62%	0.619	79%	0.789	S	S	*	*	S	Bend	trans	-98.9	-15.4	-175.9	0	0	0	0	0	117
34	Y	40.7	Very low	37.9	Very low	220 Å²	220	152.5 Å²	152.5	86%	0.863	79%	0.791	S	S	*	*	S	Bend	trans	-114	7.3	-169.3	-80.4	-81.6	0	0	0	115.7
35	F	36.3	Very low	37.5	Very low	218 Å²	218	146.5 Å²	146.5	96%	0.956	78%	0.78	S	S	*	*	S	Bend	trans	-116	60.1	176.1	-131.7	-89.6	0	0	0	110.7
36	G	31.3	Very low	37.6	Very low	57 Å²	57	150.9 Å²	150.9	59%	0.588	79%	0.791	S	S	*	*			trans	-141.7	110.7	178.3	0	0	0	0	0	111
37	L	35.5	Very low	37.2	Very low	167 Å²	167	151.2 Å²	151.2	87%	0.874	79%	0.792	S	S	*	*			trans	68.1	90.9	157.4	-62.9	143.5	0	0	0	116.6
38	H	33.3	Very low	36.8	Very low	201 Å²	201	152.8 Å²	152.8	93%	0.931	80%	0.801	S	S	*	*			trans	-153	60.2	139.1	-99.3	67	0	0	0	108.6
39	L	35.7	Very low	36.5	Very low	174 Å²	174	153.3 Å²	153.3	91%	0.911	79%	0.794	S	S	*	*			trans	-120.4	79.2	166.1	-102.8	93.4	0	0	0	109
40	N	33.7	Very low	36.3	Very low	158 Å²	158	158.3 Å²	158.3	85%	0.845	81%	0.808	S	S	*	*			trans	-168.6	68.7	151.5	-123.1	-27.8	0	0	0	110.5
41	R	33.6	Very low	35.7	Very low	241 Å²	241	157.9 Å²	157.9	91%	0.909	81%	0.809	S	S	*	*			trans	-108.5	104.6	162.5	-170.7	169.8	152.3	-175.7	-8.5	107.1	F43	R41-F43 PolarHBondContact O-N 3.17Å
42	K	33.7	Very low	35.5	Very low	187 Å²	187	155 Å²	155	81%	0.813	79%	0.792	S	S	*	*			trans	-52	128	176.9	-67.9	-169.8	176.3	-176.6	0	109.3	S44	K42-S44 PolarHBondContact O-N 3Å
43	F	33.6	Very low	36.2	Very low	193 Å²	193	149.5 Å²	149.5	85%	0.846	78%	0.778	S	S	*	*			trans	-76.9	93.8	179.5	-154.8	-94.2	0	0	0	107.7	R41 T45	R41-F43 PolarHBondContact O-N 3.17Å; F43-T45 HydrophobicContact CD1-CG2 3.98Å; F43-T45 HydrophobicContact CE1-CG2 4Å
44	S	32	Very low	37.1	Very low	108 Å²	108	154.4 Å²	154.4	76%	0.755	78%	0.782	S	S	*	*			trans	-86.6	102.9	165	46.8	0	0	0	0	107.6	K42	K42-S44 PolarHBondContact O-N 3Å
45	T	29.6	Very low	37.9	Very low	102 Å²	102	150.3 Å²	150.3	63%	0.626	77%	0.771	S	S	*	*			trans	-59.5	153.3	159.1	45.4	0	0	0	0	110.1	F43	F43-T45 HydrophobicContact CD1-CG2 3.98Å; F43-T45 HydrophobicContact CE1-CG2 4Å
46	E	31.5	Very low	39.3	Very low	184 Å²	184	142.1 Å²	142.1	86%	0.86	74%	0.74	S	S	*	*			trans	101.2	111.3	-167.1	-62.5	167.2	-159.4	0	0	109.2
47	T	31.5	Very low	41.6	Very low	108 Å²	108	143.4 Å²	143.4	66%	0.663	73%	0.734	S	S	*	*			cis	-142.5	138.4	29	39	0	0	0	0	110.1	E49	T47-E49 VanDerWaalsContact C-N 3.33Å; T47-E49 PolarHBondContact O-N 3.22Å; T47-E49 VanDerWaalsContact O-N 3.1Å
48	V	40.5	Very low	43.9	Very low	148 Å²	148	142.5 Å²	142.5	90%	0.897	72%	0.723	S	S	*	*			trans	-76.2	89.8	168.5	178	0	0	0	0	106.3
49	E	37.5	Very low	46.4	Very low	154 Å²	154	139.2 Å²	139.2	72%	0.72	71%	0.708	S	S	*	*			trans	-104.2	117.4	165.7	-72.6	-177.8	-173.1	0	0	107.1	T47 S51	T47-E49 VanDerWaalsContact C-N 3.33Å; T47-E49 PolarHBondContact O-N 3.22Å; T47-E49 VanDerWaalsContact O-N 3.1Å; E49-S51 PolarHBondContact O-N 3.43Å
50	E	38.7	Very low	48.9	Very low	191 Å²	191	134.6 Å²	134.6	89%	0.893	68%	0.684	S	S	*	*			trans	-56.7	82	179.3	-70.3	170.1	139.6	0	0	110.4
51	S	37.5	Very low	51.5	Low	99 Å²	99	133.2 Å²	133.2	69%	0.692	67%	0.672	S	S	*	*			trans	-69.9	130.6	167.5	54.1	0	0	0	0	108.3	E49	E49-S51 PolarHBondContact O-N 3.43Å
52	T	41	Very low	54.1	Low	77 Å²	77	124.2 Å²	124.2	47%	0.472	65%	0.646	S	S	.	*			trans	-54.7	127.1	-171.7	56.1	0	0	0	0	110.3	K54 E55	T52-K54 PolarHBondContact O-N 3.41Å; T52-E55 PolarHBondContact O-N 2.97Å
53	P	55.8	Low	56.8	Low	92 Å²	92	120.1 Å²	120.1	60%	0.597	63%	0.632	S	S	*	*	H	α-helix	trans	-52.7	-33.1	-175.9	-27.5	32.5	0	0	0	112.8	E55 S56 D57	P53-E55 PolarHBondContact O-N 3.43Å; P53-S56 PolarHBondContact O-N 3.38Å; P53-S56 PolarHBondContact O-OG 3.25Å; P53-D57 PolarHBondContact O-N 3Å; P53-D57 VanDerWaalsContact O-N 3.09Å; P53-D57 VanDerWaalsContact O-OD2 3.11Å
54	K	55.6	Low	59.6	Low	164 Å²	164	116.9 Å²	116.9	71%	0.713	62%	0.618	S	S	*	*	H	α-helix	trans	-68.4	-25.2	-173.9	-60.5	-174.3	179.7	-180	0	115.6	T52 K58	T52-K54 PolarHBondContact O-N 3.41Å; K54-K58 WeakPolarHBondContact O-CG 3.34Å
55	E	58.1	Low	62.5	Low	133 Å²	133	114.7 Å²	114.7	62%	0.621	60%	0.6	S	S	*	*	H	α-helix	trans	-83.3	-42.9	177.3	-74.3	-178.6	171.5	0	0	110.7	T52 P53 D57 K58 E59	T52-E55 PolarHBondContact O-N 2.97Å; P53-E55 PolarHBondContact O-N 3.43Å; E55-D57 VanDerWaalsContact C-N 3.3Å; E55-D57 PolarHBondContact O-N 2.73Å; E55-K58 PolarHBondContact O-N 2.96Å; E55-E59 PolarHBondContact O-N 3.44Å
56	S	66	Low	65.5	Low	46 Å²	46	114.9 Å²	114.9	32%	0.322	59%	0.594	S	S	.	*	H	α-helix	trans	-61.5	-37.4	175.6	67.3	0	0	0	0	112.8	P53 K58 E59 I60	P53-S56 PolarHBondContact O-N 3.38Å; P53-S56 PolarHBondContact O-OG 3.25Å; S56-K58 PolarHBondContact O-N 3.44Å; S56-E59 PolarHBondContact O-N 2.88Å; S56-I60 WeakPolarHBondContact O-CB 3.41Å; S56-I60 WeakPolarHBondContact O-CD1 3.49Å; S56-I60 WeakPolarHBondContact O-CG1 3.45Å; S56-I60 PolarHBondContact O-N 2.72Å
57	D	79.4	Confident	68.5	Low	85 Å²	85	111.6 Å²	111.6	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-64.4	-39.5	178.6	-71.2	-29.3	0	0	0	112	P53 E55 I60 E61	P53-D57 PolarHBondContact O-N 3Å; P53-D57 VanDerWaalsContact O-N 3.09Å; P53-D57 VanDerWaalsContact O-OD2 3.11Å; E55-D57 VanDerWaalsContact C-N 3.3Å; E55-D57 PolarHBondContact O-N 2.73Å; D57-I60 PolarHBondContact O-N 3Å; D57-E61 WeakPolarHBondContact O-CG 3.5Å; D57-E61 PolarHBondContact O-N 3.34Å
58	K	84	Confident	71.4	Confident	148 Å²	148	111.9 Å²	111.9	64%	0.643	57%	0.574	S	S	*	*	H	α-helix	trans	-68.2	-41.6	178.3	-72.4	177.8	-178.5	178.7	0	112.2	K54 E55 S56 E61 S62	K54-K58 WeakPolarHBondContact O-CG 3.34Å; E55-K58 PolarHBondContact O-N 2.96Å; S56-K58 PolarHBondContact O-N 3.44Å; K58-E61 PolarHBondContact O-N 3.03Å; K58-S62 WeakPolarHBondContact O-CB 3.15Å; K58-S62 PolarHBondContact O-N 3.46Å
59	E	85.6	Confident	74.1	Confident	131 Å²	131	110.7 Å²	110.7	61%	0.612	56%	0.557	S	S	*	*	H	α-helix	trans	-62.4	-45.2	175.2	-69.9	-178.1	177.7	0	0	110.6	E55 S56 E61 S62 L63	E55-E59 PolarHBondContact O-N 3.44Å; S56-E59 PolarHBondContact O-N 2.88Å; E59-E61 PolarHBondContact O-N 2.7Å; E59-S62 PolarHBondContact O-N 3.13Å; E59-S62 PolarHBondContact O-OG 3.35Å; E59-L63 WeakPolarHBondContact O-CG 3.47Å; E59-L63 PolarHBondContact O-N 2.88Å
60	I	87.5	Confident	76.8	Confident	78 Å²	78	108 Å²	108	40%	0.4	55%	0.546	S	S	.	.	H	α-helix	trans	-60.7	-43	176.3	-67.8	164.3	0	0	0	111.4	S56 D57 K64	S56-I60 WeakPolarHBondContact O-CB 3.41Å; S56-I60 WeakPolarHBondContact O-CD1 3.49Å; S56-I60 WeakPolarHBondContact O-CG1 3.45Å; S56-I60 PolarHBondContact O-N 2.72Å; D57-I60 PolarHBondContact O-N 3Å; I60-K64 HydrophobicContact CG2-CD 4.08Å; I60-K64 VanDerWaalsContact CG2-CE 3.49Å; I60-K64 WeakPolarHBondContact O-CB 3.42Å; I60-K64 VanDerWaalsContact O-CG 3.25Å; I60-K64 WeakPolarHBondContact O-CG 3.32Å; I60-K64 PolarHBondContact O-N 2.9Å
61	E	88.9	Confident	79.5	Confident	128 Å²	128	102.3 Å²	102.3	60%	0.598	52%	0.524	S	S	*	.	H	α-helix	trans	-62.5	-46.1	175.2	-78.1	-177	173.2	0	0	112	D57 K58 E59 L63 K64 T65	D57-E61 WeakPolarHBondContact O-CG 3.5Å; D57-E61 PolarHBondContact O-N 3.34Å; K58-E61 PolarHBondContact O-N 3.03Å; E59-E61 PolarHBondContact O-N 2.7Å; E61-L63 PolarHBondContact O-N 3.23Å; E61-K64 WeakPolarHBondContact O-CB 3.34Å; E61-K64 PolarHBondContact O-N 2.88Å; E61-T65 WeakPolarHBondContact O-CG2 3.25Å; E61-T65 PolarHBondContact O-N 3.12Å
62	S	88.4	Confident	82.3	Confident	53 Å²	53	103.1 Å²	103.1	37%	0.371	52%	0.517	S	S	.	.	H	α-helix	trans	-59	-46.8	178.4	72.8	0	0	0	0	111.8	K58 E59 K64 T65 E66	K58-S62 WeakPolarHBondContact O-CB 3.15Å; K58-S62 PolarHBondContact O-N 3.46Å; E59-S62 PolarHBondContact O-N 3.13Å; E59-S62 PolarHBondContact O-OG 3.35Å; S62-K64 VanDerWaalsContact C-N 3.35Å; S62-K64 PolarHBondContact O-N 3.08Å; S62-T65 PolarHBondContact O-N 2.95Å; S62-T65 VanDerWaalsContact O-N 3.13Å; S62-T65 PolarHBondContact O-OG1 3Å; S62-E66 PolarHBondContact O-N 3.29Å
63	L	89.8	Confident	85	Confident	100 Å²	100	104 Å²	104	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-38.8	177.8	-70.9	172.2	0	0	0	112	E59 E61 E66 M67	E59-L63 WeakPolarHBondContact O-CG 3.47Å; E59-L63 PolarHBondContact O-N 2.88Å; E61-L63 PolarHBondContact O-N 3.23Å; L63-E66 PolarHBondContact O-N 3.31Å; L63-M67 WeakPolarHBondContact O-CB 3.38Å; L63-M67 WeakPolarHBondContact O-CG 3.39Å; L63-M67 PolarHBondContact O-N 2.94Å
64	K	92.6	Very high	86.9	Confident	125 Å²	125	106.8 Å²	106.8	54%	0.543	52%	0.519	S	S	.	.	H	α-helix	trans	-61.9	-42	173.9	-76.3	170.4	-179.1	172.6	0	111.6	I60 E61 S62 M67 Q68	I60-K64 HydrophobicContact CG2-CD 4.08Å; I60-K64 VanDerWaalsContact CG2-CE 3.49Å; I60-K64 WeakPolarHBondContact O-CB 3.42Å; I60-K64 VanDerWaalsContact O-CG 3.25Å; I60-K64 WeakPolarHBondContact O-CG 3.32Å; I60-K64 PolarHBondContact O-N 2.9Å; E61-K64 WeakPolarHBondContact O-CB 3.34Å; E61-K64 PolarHBondContact O-N 2.88Å; S62-K64 VanDerWaalsContact C-N 3.35Å; S62-K64 PolarHBondContact O-N 3.08Å; K64-M67 PolarHBondContact O-N 3.34Å; K64-Q68 WeakPolarHBondContact O-CG 3.31Å; K64-Q68 PolarHBondContact O-N 3.06Å
65	T	92.9	Very high	88.8	Confident	63 Å²	63	104 Å²	104	39%	0.387	51%	0.508	S	S	.	.	H	α-helix	trans	-67.3	-37.1	177.3	68.5	0	0	0	0	112.3	E61 S62 Q68 K69	E61-T65 WeakPolarHBondContact O-CG2 3.25Å; E61-T65 PolarHBondContact O-N 3.12Å; S62-T65 PolarHBondContact O-N 2.95Å; S62-T65 VanDerWaalsContact O-N 3.13Å; S62-T65 PolarHBondContact O-OG1 3Å; T65-Q68 PolarHBondContact O-N 3.42Å; T65-K69 VanDerWaalsContact O-CG 3.31Å; T65-K69 WeakPolarHBondContact O-CG 3.41Å; T65-K69 PolarHBondContact O-N 3.3Å
66	E	93.7	Very high	90.7	Very high	105 Å²	105	101.8 Å²	101.8	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-66.6	-44	174.9	-70.3	-178	176.1	0	0	111.6	S62 L63 Q68 K69 I70	S62-E66 PolarHBondContact O-N 3.29Å; L63-E66 PolarHBondContact O-N 3.31Å; E66-Q68 VanDerWaalsContact C-N 3.34Å; E66-Q68 PolarHBondContact O-N 2.9Å; E66-K69 PolarHBondContact O-N 3.44Å; E66-I70 WeakPolarHBondContact O-CB 3.27Å; E66-I70 VanDerWaalsContact O-CG1 3.27Å; E66-I70 WeakPolarHBondContact O-CG1 3.48Å; E66-I70 PolarHBondContact O-N 3.39Å
67	M	92.8	Very high	92.2	Very high	115 Å²	115	105 Å²	105	57%	0.567	51%	0.514	S	S	*	.	H	α-helix	trans	-57	-46.6	173.6	-73.7	-77.9	100.9	0	0	111.4	L63 K64 I70 T71	L63-M67 WeakPolarHBondContact O-CB 3.38Å; L63-M67 WeakPolarHBondContact O-CG 3.39Å; L63-M67 PolarHBondContact O-N 2.94Å; K64-M67 PolarHBondContact O-N 3.34Å; M67-I70 HydrophobicContact CE-CD1 4.06Å; M67-I70 PolarHBondContact O-N 3.26Å; M67-T71 WeakPolarHBondContact O-CG2 3.46Å; M67-T71 PolarHBondContact O-N 2.64Å; M67-T71 PolarHBondContact O-OG1 3.33Å
68	Q	94.1	Very high	93	Very high	115 Å²	115	102.9 Å²	102.9	54%	0.537	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-50.4	176.3	-74.9	172.6	-5.3	0	0	111.7	K64 T65 E66 I70 T71 E72	K64-Q68 WeakPolarHBondContact O-CG 3.31Å; K64-Q68 PolarHBondContact O-N 3.06Å; T65-Q68 PolarHBondContact O-N 3.42Å; E66-Q68 VanDerWaalsContact C-N 3.34Å; E66-Q68 PolarHBondContact O-N 2.9Å; Q68-I70 VanDerWaalsContact C-N 3.3Å; Q68-I70 PolarHBondContact O-N 3.45Å; Q68-T71 WeakPolarHBondContact CA-OG1 3.19Å; Q68-T71 PolarHBondContact O-N 2.92Å; Q68-T71 VanDerWaalsContact O-N 3.12Å; Q68-T71 PolarHBondContact O-OG1 3.37Å; Q68-E72 WeakPolarHBondContact O-CG 3.36Å; Q68-E72 PolarHBondContact O-N 2.87Å
69	K	95.2	Very high	93.7	Very high	123 Å²	123	100 Å²	100	54%	0.535	49%	0.494	S	S	.	.	H	α-helix	trans	-57.3	-42	176.7	-71.6	169.7	-177	171.8	0	112.4	T65 E66 N73	T65-K69 VanDerWaalsContact O-CG 3.31Å; T65-K69 WeakPolarHBondContact O-CG 3.41Å; T65-K69 PolarHBondContact O-N 3.3Å; E66-K69 PolarHBondContact O-N 3.44Å; K69-N73 VanDerWaalsContact O-CB 3.32Å; K69-N73 WeakPolarHBondContact O-CB 3.33Å; K69-N73 PolarHBondContact O-N 2.85Å; K69-N73 PolarHBondContact O-ND2 2.94Å; K69-N73 VanDerWaalsContact O-ND2 3.08Å
70	I	95.9	Very high	94.3	Very high	97 Å²	97	100.4 Å²	100.4	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-65.9	-42.9	177.7	-69.2	165.4	0	0	0	110.5	E66 M67 Q68 N73 Y74	E66-I70 WeakPolarHBondContact O-CB 3.27Å; E66-I70 VanDerWaalsContact O-CG1 3.27Å; E66-I70 WeakPolarHBondContact O-CG1 3.48Å; E66-I70 PolarHBondContact O-N 3.39Å; M67-I70 HydrophobicContact CE-CD1 4.06Å; M67-I70 PolarHBondContact O-N 3.26Å; Q68-I70 VanDerWaalsContact C-N 3.3Å; Q68-I70 PolarHBondContact O-N 3.45Å; I70-N73 PolarHBondContact O-N 3.24Å; I70-Y74 WeakPolarHBondContact O-CB 3.43Å; I70-Y74 PolarHBondContact O-N 3.4Å
71	T	95.6	Very high	94.8	Very high	71 Å²	71	103.6 Å²	103.6	44%	0.436	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-42.9	177	56.1	0	0	0	0	112.2	M67 Q68 Y74 H75	M67-T71 WeakPolarHBondContact O-CG2 3.46Å; M67-T71 PolarHBondContact O-N 2.64Å; M67-T71 PolarHBondContact O-OG1 3.33Å; Q68-T71 WeakPolarHBondContact CA-OG1 3.19Å; Q68-T71 PolarHBondContact O-N 2.92Å; Q68-T71 VanDerWaalsContact O-N 3.12Å; Q68-T71 PolarHBondContact O-OG1 3.37Å; T71-Y74 WeakPolarHBondContact O-CB 3.32Å; T71-Y74 PolarHBondContact O-N 3.16Å; T71-H75 PolarHBondContact O-CD2 3.3Å; T71-H75 PolarHBondContact O-N 3.4Å
72	E	96.1	Very high	95.2	Very high	116 Å²	116	102.9 Å²	102.9	54%	0.542	50%	0.497	S	S	.	.	H	α-helix	trans	-62	-45.7	175.1	-71.7	174.5	-176	0	0	111.5	Q68 Y74 H75 N76	Q68-E72 WeakPolarHBondContact O-CG 3.36Å; Q68-E72 PolarHBondContact O-N 2.87Å; E72-Y74 VanDerWaalsContact C-N 3.31Å; E72-Y74 PolarHBondContact O-N 3Å; E72-H75 PolarHBondContact O-N 2.89Å; E72-N76 WeakPolarHBondContact O-CB 3.23Å; E72-N76 PolarHBondContact O-N 2.84Å; E72-N76 PolarHBondContact O-ND2 3.23Å
73	N	96.5	Very high	95.6	Very high	95 Å²	95	108 Å²	108	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-61.8	-40.2	175.7	-73.9	-30.1	0	0	0	111.9	K69 I70 N76 L77	K69-N73 VanDerWaalsContact O-CB 3.32Å; K69-N73 WeakPolarHBondContact O-CB 3.33Å; K69-N73 PolarHBondContact O-N 2.85Å; K69-N73 PolarHBondContact O-ND2 2.94Å; K69-N73 VanDerWaalsContact O-ND2 3.08Å; I70-N73 PolarHBondContact O-N 3.24Å; N73-N76 PolarHBondContact O-N 3.44Å; N73-L77 WeakPolarHBondContact O-CB 3.37Å; N73-L77 VanDerWaalsContact O-CG 3.29Å; N73-L77 WeakPolarHBondContact O-CG 3.29Å; N73-L77 PolarHBondContact O-N 3.34Å
74	Y	96.5	Very high	96	Very high	151 Å²	151	105.8 Å²	105.8	59%	0.592	50%	0.504	S	S	*	.	H	α-helix	trans	-61.3	-49.3	175.6	175.6	-98.6	0	0	0	111.5	I70 T71 E72 N76 L77 D78	I70-Y74 WeakPolarHBondContact O-CB 3.43Å; I70-Y74 PolarHBondContact O-N 3.4Å; T71-Y74 WeakPolarHBondContact O-CB 3.32Å; T71-Y74 PolarHBondContact O-N 3.16Å; E72-Y74 VanDerWaalsContact C-N 3.31Å; E72-Y74 PolarHBondContact O-N 3Å; Y74-N76 PolarHBondContact O-N 3.43Å; Y74-L77 PolarHBondContact O-N 3.02Å; Y74-D78 WeakPolarHBondContact O-CB 3.47Å; Y74-D78 PolarHBondContact O-N 3.46Å
75	H	96.2	Very high	96.2	Very high	107 Å²	107	103.7 Å²	103.7	50%	0.495	50%	0.498	S	S	.	.	H	α-helix	trans	-60.1	-44.9	176.5	-71.1	-56.9	0	0	0	111.8	T71 E72 L77 D78 D79	T71-H75 PolarHBondContact O-CD2 3.3Å; T71-H75 PolarHBondContact O-N 3.4Å; E72-H75 PolarHBondContact O-N 2.89Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 2.9Å; H75-D78 PolarHBondContact O-N 3.34Å; H75-D79 WeakPolarHBondContact O-CB 3.35Å; H75-D79 PolarHBondContact O-N 3.01Å
76	N	96.9	Very high	96.5	Very high	85 Å²	85	102.8 Å²	102.8	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-60.9	-38.8	177.1	-74.9	-37.5	0	0	0	112.9	E72 N73 Y74 K80	E72-N76 WeakPolarHBondContact O-CB 3.23Å; E72-N76 PolarHBondContact O-N 2.84Å; E72-N76 PolarHBondContact O-ND2 3.23Å; N73-N76 PolarHBondContact O-N 3.44Å; Y74-N76 PolarHBondContact O-N 3.43Å; N76-K80 WeakPolarHBondContact O-CB 3.38Å; N76-K80 VanDerWaalsContact O-CG 3.24Å; N76-K80 WeakPolarHBondContact O-CG 3.41Å; N76-K80 PolarHBondContact O-N 2.89Å; N76-K80 VanDerWaalsContact O-N 3.16Å
77	L	97.3	Very high	96.7	Very high	114 Å²	114	103.2 Å²	103.2	60%	0.597	50%	0.499	S	S	*	.	H	α-helix	trans	-74	-40.8	177.6	-72.5	177.8	0	0	0	112.1	N73 Y74 H75 D79 K80 Y81	N73-L77 WeakPolarHBondContact O-CB 3.37Å; N73-L77 VanDerWaalsContact O-CG 3.29Å; N73-L77 WeakPolarHBondContact O-CG 3.29Å; N73-L77 PolarHBondContact O-N 3.34Å; Y74-L77 PolarHBondContact O-N 3.02Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 2.9Å; L77-D79 VanDerWaalsContact C-N 3.34Å; L77-K80 PolarHBondContact O-N 3.26Å; L77-Y81 VanDerWaalsContact O-CB 3.27Å; L77-Y81 WeakPolarHBondContact O-CB 3.45Å; L77-Y81 PolarHBondContact O-N 2.93Å
78	D	97.4	Very high	96.9	Very high	41 Å²	41	101.6 Å²	101.6	22%	0.219	50%	0.499	C	S	.	.	H	α-helix	trans	-61.2	-43.6	175.7	-176.9	48.9	0	0	0	111.1	Y74 H75 Y81 K82	Y74-D78 WeakPolarHBondContact O-CB 3.47Å; Y74-D78 PolarHBondContact O-N 3.46Å; H75-D78 PolarHBondContact O-N 3.34Å; D78-Y81 PolarHBondContact O-N 3.4Å; D78-K82 WeakPolarHBondContact O-CB 3.36Å; D78-K82 WeakPolarHBondContact O-CG 3.27Å; D78-K82 PolarHBondContact O-N 3.22Å; D78-K82 WeakPolarHBondContact OD1-CE 3.38Å; D78-K82 IonicContact OD1-NZ 2.64Å; D78-K82 VanDerWaalsContact OD2-CE 3.23Å; D78-K82 WeakPolarHBondContact OD2-CE 3.24Å; D78-K82 IonicContact OD2-NZ 3.66Å; D78-K82 PolarHBondContact OD2-NZ 2.94Å
79	D	97.8	Very high	97.1	Very high	86 Å²	86	101.4 Å²	101.4	46%	0.46	50%	0.498	S	S	.	.	H	α-helix	trans	-63.7	-43.4	175.8	-76.6	-15	0	0	0	112.5	H75 L77 Y81 R83	H75-D79 WeakPolarHBondContact O-CB 3.35Å; H75-D79 PolarHBondContact O-N 3.01Å; L77-D79 VanDerWaalsContact C-N 3.34Å; D79-Y81 VanDerWaalsContact C-N 3.35Å; D79-R83 WeakPolarHBondContact O-CB 3.45Å; D79-R83 PolarHBondContact O-N 2.98Å
80	K	97.6	Very high	97.3	Very high	140 Å²	140	99.4 Å²	99.4	61%	0.609	49%	0.493	S	S	*	.	H	α-helix	trans	-63.3	-42.4	175	-76.6	173.1	-176.6	178.4	0	111.4	N76 L77 R83 A84	N76-K80 WeakPolarHBondContact O-CB 3.38Å; N76-K80 VanDerWaalsContact O-CG 3.24Å; N76-K80 WeakPolarHBondContact O-CG 3.41Å; N76-K80 PolarHBondContact O-N 2.89Å; N76-K80 VanDerWaalsContact O-N 3.16Å; L77-K80 PolarHBondContact O-N 3.26Å; K80-R83 PolarHBondContact O-N 3.35Å; K80-A84 WeakPolarHBondContact O-CB 3.32Å; K80-A84 PolarHBondContact O-N 3.49Å
81	Y	98.1	Very high	97.4	Very high	145 Å²	145	99.8 Å²	99.8	57%	0.569	49%	0.494	S	S	*	.	H	α-helix	trans	-62.8	-49.3	178.8	176.9	-107.9	0	0	0	111.4	L77 D78 D79 R83 A84 L85	L77-Y81 VanDerWaalsContact O-CB 3.27Å; L77-Y81 WeakPolarHBondContact O-CB 3.45Å; L77-Y81 PolarHBondContact O-N 2.93Å; D78-Y81 PolarHBondContact O-N 3.4Å; D79-Y81 VanDerWaalsContact C-N 3.35Å; Y81-R83 VanDerWaalsContact C-N 3.33Å; Y81-R83 PolarHBondContact O-N 3.5Å; Y81-A84 PolarHBondContact O-N 3.41Å; Y81-L85 HydrophobicContact CD1-CD1 4.04Å; Y81-L85 HydrophobicContact CE1-CD1 3.43Å; Y81-L85 VanDerWaalsContact CE1-CD1 3.43Å; Y81-L85 HydrophobicContact CE1-CG 4.19Å; Y81-L85 HydrophobicContact CE2-CD1 4.3Å; Y81-L85 HydrophobicContact CE2-CD2 4.37Å; Y81-L85 HydrophobicContact CE2-CG 4.25Å; Y81-L85 WeakPolarHBondContact O-CG 3.34Å; Y81-L85 PolarHBondContact O-N 3.24Å
82	K	97.7	Very high	97.5	Very high	114 Å²	114	102.4 Å²	102.4	50%	0.496	50%	0.496	S	S	.	.	H	α-helix	trans	-58.7	-43.2	175.9	-73.7	168.7	176.5	166.9	0	112.1	D78 L85 A86	D78-K82 WeakPolarHBondContact O-CB 3.36Å; D78-K82 WeakPolarHBondContact O-CG 3.27Å; D78-K82 PolarHBondContact O-N 3.22Å; D78-K82 WeakPolarHBondContact OD1-CE 3.38Å; D78-K82 IonicContact OD1-NZ 2.64Å; D78-K82 VanDerWaalsContact OD2-CE 3.23Å; D78-K82 WeakPolarHBondContact OD2-CE 3.24Å; D78-K82 IonicContact OD2-NZ 3.66Å; D78-K82 PolarHBondContact OD2-NZ 2.94Å; K82-L85 PolarHBondContact O-N 2.83Å; K82-A86 PolarHBondContact O-N 3.42Å
83	R	97.7	Very high	97.6	Very high	159 Å²	159	102 Å²	102	60%	0.6	49%	0.492	S	S	*	.	H	α-helix	trans	-64.8	-43.6	177.6	-170	179.4	-88	109.2	-8.1	111.6	D79 K80 Y81 L85 A86 E87	D79-R83 WeakPolarHBondContact O-CB 3.45Å; D79-R83 PolarHBondContact O-N 2.98Å; K80-R83 PolarHBondContact O-N 3.35Å; Y81-R83 VanDerWaalsContact C-N 3.33Å; Y81-R83 PolarHBondContact O-N 3.5Å; R83-L85 PolarHBondContact O-N 3Å; R83-A86 PolarHBondContact O-N 3.35Å; R83-E87 WeakPolarHBondContact O-CG 3.41Å; R83-E87 PolarHBondContact O-N 3.33Å
84	A	97.8	Very high	97.7	Very high	54 Å²	54	104.3 Å²	104.3	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-62.4	-39.8	176.1	0	0	0	0	0	112.6	K80 Y81 E87 S88	K80-A84 WeakPolarHBondContact O-CB 3.32Å; K80-A84 PolarHBondContact O-N 3.49Å; Y81-A84 PolarHBondContact O-N 3.41Å; A84-E87 PolarHBondContact O-N 2.9Å; A84-S88 PolarHBondContact O-N 3.04Å
85	L	97.4	Very high	97.7	Very high	81 Å²	81	101.2 Å²	101.2	42%	0.424	49%	0.487	S	S	.	.	H	α-helix	trans	-61.4	-47.3	173.1	-72.8	-179.2	0	0	0	111.4	Y81 K82 R83 E87 S88 E89	Y81-L85 HydrophobicContact CD1-CD1 4.04Å; Y81-L85 HydrophobicContact CE1-CD1 3.43Å; Y81-L85 VanDerWaalsContact CE1-CD1 3.43Å; Y81-L85 HydrophobicContact CE1-CG 4.19Å; Y81-L85 HydrophobicContact CE2-CD1 4.3Å; Y81-L85 HydrophobicContact CE2-CD2 4.37Å; Y81-L85 HydrophobicContact CE2-CG 4.25Å; Y81-L85 WeakPolarHBondContact O-CG 3.34Å; Y81-L85 PolarHBondContact O-N 3.24Å; K82-L85 PolarHBondContact O-N 2.83Å; R83-L85 PolarHBondContact O-N 3Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 3.11Å; L85-S88 WeakPolarHBondContact O-CB 3.34Å; L85-S88 PolarHBondContact O-N 3.37Å; L85-E89 PolarHBondContact O-N 3.26Å
86	A	97.9	Very high	97.8	Very high	44 Å²	44	100.7 Å²	100.7	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-62.2	-40.2	177.9	0	0	0	0	0	112.5	K82 R83 E89 N90	K82-A86 PolarHBondContact O-N 3.42Å; R83-A86 PolarHBondContact O-N 3.35Å; A86-E89 PolarHBondContact O-N 2.89Å; A86-N90 WeakPolarHBondContact O-CB 3.32Å; A86-N90 VanDerWaalsContact O-CG 3.27Å; A86-N90 PolarHBondContact O-N 3.01Å; A86-N90 PolarHBondContact O-ND2 3.43Å
87	E	98.3	Very high	97.9	Very high	115 Å²	115	103.4 Å²	103.4	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-61.7	-43	174.7	-75.9	173.6	-166.5	0	0	112.1	R83 A84 L85 N90 M91	R83-E87 WeakPolarHBondContact O-CG 3.41Å; R83-E87 PolarHBondContact O-N 3.33Å; A84-E87 PolarHBondContact O-N 2.9Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 3.11Å; E87-N90 PolarHBondContact O-N 3.39Å; E87-M91 WeakPolarHBondContact O-CB 3.45Å; E87-M91 PolarHBondContact O-N 3.38Å
88	S	97.6	Very high	97.9	Very high	80 Å²	80	103.3 Å²	103.3	56%	0.559	49%	0.49	S	S	*	.	H	α-helix	trans	-61.1	-45.1	176.2	-175.7	0	0	0	0	112	A84 L85 N90 M91 R92	A84-S88 PolarHBondContact O-N 3.04Å; L85-S88 WeakPolarHBondContact O-CB 3.34Å; L85-S88 PolarHBondContact O-N 3.37Å; S88-N90 PolarHBondContact O-N 3.46Å; S88-M91 PolarHBondContact O-N 2.99Å; S88-R92 PolarHBondContact O-N 2.87Å
89	E	98	Very high	97.9	Very high	112 Å²	112	105.6 Å²	105.6	52%	0.523	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-42	176.3	-70.5	-172.2	174.5	0	0	112.8	L85 A86 M91 R92 K93	L85-E89 PolarHBondContact O-N 3.26Å; A86-E89 PolarHBondContact O-N 2.89Å; E89-M91 VanDerWaalsContact C-N 3.35Å; E89-R92 PolarHBondContact O-N 3.31Å; E89-K93 WeakPolarHBondContact O-CG 3.41Å; E89-K93 PolarHBondContact O-N 3.47Å
90	N	98.2	Very high	97.8	Very high	80 Å²	80	105.4 Å²	105.4	43%	0.428	50%	0.501	S	S	.	.	H	α-helix	trans	-66.4	-38.4	176.7	-73.8	-27.5	0	0	0	111.7	A86 E87 S88 K93 R94	A86-N90 WeakPolarHBondContact O-CB 3.32Å; A86-N90 VanDerWaalsContact O-CG 3.27Å; A86-N90 PolarHBondContact O-N 3.01Å; A86-N90 PolarHBondContact O-ND2 3.43Å; E87-N90 PolarHBondContact O-N 3.39Å; S88-N90 PolarHBondContact O-N 3.46Å; N90-K93 PolarHBondContact O-N 3.43Å; N90-R94 WeakPolarHBondContact O-CG 3.5Å; N90-R94 PolarHBondContact O-N 3.34Å
91	M	98.2	Very high	97.7	Very high	105 Å²	105	104.1 Å²	104.1	52%	0.517	50%	0.497	S	S	.	.	H	α-helix	trans	-62.4	-46.6	173	-174.3	163.8	-73.5	0	0	111	E87 S88 E89 K93 R94 L95	E87-M91 WeakPolarHBondContact O-CB 3.45Å; E87-M91 PolarHBondContact O-N 3.38Å; S88-M91 PolarHBondContact O-N 2.99Å; E89-M91 VanDerWaalsContact C-N 3.35Å; M91-K93 VanDerWaalsContact C-N 3.33Å; M91-K93 PolarHBondContact O-N 2.87Å; M91-R94 PolarHBondContact O-N 3.23Å; M91-R94 VanDerWaalsContact O-N 3.11Å; M91-L95 HydrophobicContact CG-CD1 4.09Å; M91-L95 HydrophobicContact CG-CG 4.33Å; M91-L95 WeakPolarHBondContact O-CG 3.41Å; M91-L95 PolarHBondContact O-N 2.97Å
92	R	98	Very high	97.6	Very high	127 Å²	127	100.2 Å²	100.2	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-56	-46.3	175.2	-173.7	-175	65.4	79.6	-4.9	111.9	S88 E89 R94 L95 M96	S88-R92 PolarHBondContact O-N 2.87Å; E89-R92 PolarHBondContact O-N 3.31Å; R92-R94 VanDerWaalsContact C-N 3.34Å; R92-R94 PolarHBondContact O-N 3.47Å; R92-L95 PolarHBondContact O-N 3.29Å; R92-M96 PolarHBondContact NH1-SD 2.99Å; R92-M96 WeakPolarHBondContact O-CG 3.21Å; R92-M96 PolarHBondContact O-N 3.23Å
93	K	98.3	Very high	97.3	Very high	106 Å²	106	101.8 Å²	101.8	46%	0.461	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-40.7	176.7	-72	173	-176	170	0	112.1	E89 N90 M91 K97	E89-K93 WeakPolarHBondContact O-CG 3.41Å; E89-K93 PolarHBondContact O-N 3.47Å; N90-K93 PolarHBondContact O-N 3.43Å; M91-K93 VanDerWaalsContact C-N 3.33Å; M91-K93 PolarHBondContact O-N 2.87Å; K93-K97 WeakPolarHBondContact O-CG 3.34Å; K93-K97 PolarHBondContact O-N 3.33Å
94	R	98	Very high	97	Very high	144 Å²	144	98 Å²	98	54%	0.543	49%	0.493	S	S	.	.	H	α-helix	trans	-65.9	-45.3	176.6	-76.3	-176.1	-70.6	-160.5	0.9	112.2	N90 M91 R92 M96 K97 Q98	N90-R94 WeakPolarHBondContact O-CG 3.5Å; N90-R94 PolarHBondContact O-N 3.34Å; M91-R94 PolarHBondContact O-N 3.23Å; M91-R94 VanDerWaalsContact O-N 3.11Å; R92-R94 VanDerWaalsContact C-N 3.34Å; R92-R94 PolarHBondContact O-N 3.47Å; R94-M96 VanDerWaalsContact C-N 3.32Å; R94-M96 PolarHBondContact O-N 2.87Å; R94-K97 PolarHBondContact O-N 2.98Å; R94-Q98 WeakPolarHBondContact O-CG 3.36Å; R94-Q98 PolarHBondContact O-N 3.43Å
95	L	98.4	Very high	96.8	Very high	86 Å²	86	97.8 Å²	97.8	45%	0.45	48%	0.482	S	S	.	.	H	α-helix	trans	-62	-40.2	178	-69.3	174.4	0	0	0	111.7	M91 R92 K97 Q98 I99	M91-L95 HydrophobicContact CG-CD1 4.09Å; M91-L95 HydrophobicContact CG-CG 4.33Å; M91-L95 WeakPolarHBondContact O-CG 3.41Å; M91-L95 PolarHBondContact O-N 2.97Å; R92-L95 PolarHBondContact O-N 3.29Å; L95-K97 PolarHBondContact O-N 3.38Å; L95-Q98 PolarHBondContact O-N 3.27Å; L95-I99 WeakPolarHBondContact O-CB 3.39Å; L95-I99 WeakPolarHBondContact O-CD1 3.48Å; L95-I99 WeakPolarHBondContact O-CG1 3.43Å; L95-I99 PolarHBondContact O-N 3.25Å
96	M	98	Very high	96.6	Very high	97 Å²	97	96.5 Å²	96.5	48%	0.478	49%	0.488	S	S	.	.	H	α-helix	trans	-59.1	-46.6	174.9	-75.5	-179.2	149.2	0	0	111.9	R92 R94 Q98 I99 D100	R92-M96 PolarHBondContact NH1-SD 2.99Å; R92-M96 WeakPolarHBondContact O-CG 3.21Å; R92-M96 PolarHBondContact O-N 3.23Å; R94-M96 VanDerWaalsContact C-N 3.32Å; R94-M96 PolarHBondContact O-N 2.87Å; M96-Q98 PolarHBondContact O-N 3.45Å; M96-I99 PolarHBondContact O-N 3.08Å; M96-D100 PolarHBondContact O-N 3.2Å
97	K	97.6	Very high	96.3	Very high	141 Å²	141	97.2 Å²	97.2	61%	0.613	49%	0.485	S	S	*	.	H	α-helix	trans	-60.6	-44.9	175.6	-68.2	-179.3	179.2	-171.4	0	112.3	K93 R94 L95 I99 D100 E101	K93-K97 WeakPolarHBondContact O-CG 3.34Å; K93-K97 PolarHBondContact O-N 3.33Å; R94-K97 PolarHBondContact O-N 2.98Å; L95-K97 PolarHBondContact O-N 3.38Å; K97-I99 VanDerWaalsContact C-N 3.32Å; K97-I99 PolarHBondContact O-N 2.85Å; K97-D100 PolarHBondContact O-N 3.24Å; K97-E101 WeakPolarHBondContact O-CB 3.45Å; K97-E101 WeakPolarHBondContact O-CG 3.43Å; K97-E101 PolarHBondContact O-N 3.07Å
98	Q	97.6	Very high	96	Very high	112 Å²	112	93.5 Å²	93.5	52%	0.523	47%	0.468	S	S	.	.	H	α-helix	trans	-62.9	-38.3	177.5	-72.3	177.6	-15.8	0	0	112.5	R94 L95 M96 A102	R94-Q98 WeakPolarHBondContact O-CG 3.36Å; R94-Q98 PolarHBondContact O-N 3.43Å; L95-Q98 PolarHBondContact O-N 3.27Å; M96-Q98 PolarHBondContact O-N 3.45Å; Q98-A102 WeakPolarHBondContact O-CB 3.46Å; Q98-A102 PolarHBondContact O-N 3.27Å
99	I	97.6	Very high	95.8	Very high	89 Å²	89	93.4 Å²	93.4	46%	0.456	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-43.9	175.7	-71.6	164.3	0	0	0	110.4	L95 M96 K97 A102 K103	L95-I99 WeakPolarHBondContact O-CB 3.39Å; L95-I99 WeakPolarHBondContact O-CD1 3.48Å; L95-I99 WeakPolarHBondContact O-CG1 3.43Å; L95-I99 PolarHBondContact O-N 3.25Å; M96-I99 PolarHBondContact O-N 3.08Å; K97-I99 VanDerWaalsContact C-N 3.32Å; K97-I99 PolarHBondContact O-N 2.85Å; I99-A102 PolarHBondContact O-N 3.14Å; I99-K103 HydrophobicContact CG2-CD 4.37Å; I99-K103 VanDerWaalsContact O-CG 3.32Å; I99-K103 WeakPolarHBondContact O-CG 3.32Å; I99-K103 PolarHBondContact O-N 2.86Å
100	D	96	Very high	95.5	Very high	82 Å²	82	92.9 Å²	92.9	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-69.2	-40.9	-179.9	-66.5	-25.3	0	0	0	111.6	M96 K97 A102 K103 L104	M96-D100 PolarHBondContact O-N 3.2Å; K97-D100 PolarHBondContact O-N 3.24Å; D100-A102 PolarHBondContact O-N 2.73Å; D100-K103 PolarHBondContact O-N 3.09Å; D100-K103 IonicContact OD1-NZ 3.63Å; D100-K103 PolarHBondContact OD1-NZ 3.49Å; D100-L104 WeakPolarHBondContact O-CG 3.37Å; D100-L104 PolarHBondContact O-N 3.49Å; D100-L104 VanDerWaalsContact O-N 3.07Å
101	E	95.2	Very high	95.3	Very high	114 Å²	114	89.3 Å²	89.3	53%	0.533	45%	0.449	S	S	.	.	H	α-helix	trans	-60.1	-44	170.9	-73.8	171.7	-166.1	0	0	111.8	K97 K103 L104 F105	K97-E101 WeakPolarHBondContact O-CB 3.45Å; K97-E101 WeakPolarHBondContact O-CG 3.43Å; K97-E101 PolarHBondContact O-N 3.07Å; E101-K103 VanDerWaalsContact C-N 3.31Å; E101-K103 PolarHBondContact O-N 3.26Å; E101-L104 PolarHBondContact O-N 2.85Å; E101-F105 WeakPolarHBondContact O-CB 3.2Å; E101-F105 WeakPolarHBondContact O-CD2 3.41Å; E101-F105 PolarHBondContact O-N 3.27Å
102	A	95.3	Very high	95.1	Very high	63 Å²	63	89.2 Å²	89.2	52%	0.521	45%	0.446	S	S	.	.	H	α-helix	trans	-64.5	-33.7	177.7	0	0	0	0	0	112.6	Q98 I99 D100 G106	Q98-A102 WeakPolarHBondContact O-CB 3.46Å; Q98-A102 PolarHBondContact O-N 3.27Å; I99-A102 PolarHBondContact O-N 3.14Å; D100-A102 PolarHBondContact O-N 2.73Å; A102-G106 WeakPolarHBondContact O-CA 3.35Å; A102-G106 PolarHBondContact O-N 3.23Å
103	K	92.3	Very high	94.9	Very high	146 Å²	146	87.8 Å²	87.8	64%	0.635	45%	0.448	S	S	*	.	H	α-helix	trans	-67.8	-42.9	173.8	-72.4	168.8	-171.8	162.2	0	111.9	I99 D100 E101	I99-K103 HydrophobicContact CG2-CD 4.37Å; I99-K103 VanDerWaalsContact O-CG 3.32Å; I99-K103 WeakPolarHBondContact O-CG 3.32Å; I99-K103 PolarHBondContact O-N 2.86Å; D100-K103 PolarHBondContact O-N 3.09Å; D100-K103 IonicContact OD1-NZ 3.63Å; D100-K103 PolarHBondContact OD1-NZ 3.49Å; E101-K103 VanDerWaalsContact C-N 3.31Å; E101-K103 PolarHBondContact O-N 3.26Å
104	L	91.4	Very high	94.6	Very high	81 Å²	81	85.6 Å²	85.6	42%	0.424	44%	0.44	S	S	.	.	H	α-helix	trans	-71.4	-40.8	-178.3	-67.6	172.5	0	0	0	112.1	D100 E101	D100-L104 WeakPolarHBondContact O-CG 3.37Å; D100-L104 PolarHBondContact O-N 3.49Å; D100-L104 VanDerWaalsContact O-N 3.07Å; E101-L104 PolarHBondContact O-N 2.85Å
105	F	94.4	Very high	94.4	Very high	49 Å²	49	78.9 Å²	78.9	22%	0.215	42%	0.415	C	S	.	.	H	α-helix	trans	-106	3.7	-174.1	-61	-70.7	0	0	0	114.1	E101 I107 Q108 L207 H208 R210	E101-F105 WeakPolarHBondContact O-CB 3.2Å; E101-F105 WeakPolarHBondContact O-CD2 3.41Å; E101-F105 PolarHBondContact O-N 3.27Å; F105-I107 PolarHBondContact O-N 3.38Å; F105-Q108 WeakPolarHBondContact O-CB 3Å; F105-Q108 PolarHBondContact O-N 3.23Å; F105-L207 HydrophobicContact CD1-CD2 4Å; F105-L207 HydrophobicContact CD1-CG 4.36Å; F105-L207 HydrophobicContact CE1-CG 4.46Å; F105-H208 HydrophobicContact CE1-CB 4.28Å; F105-H208 HydrophobicContact CZ-CB 4.37Å; F105-R210 HydrophobicContact CE1-CB 3.74Å; F105-R210 HydrophobicContact CZ-CB 4.12Å
106	G	92.6	Very high	94.1	Very high	54 Å²	54	80.7 Å²	80.7	56%	0.557	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.1	177.8	0	0	0	0	0	113.5	A102 Q108	A102-G106 WeakPolarHBondContact O-CA 3.35Å; A102-G106 PolarHBondContact O-N 3.23Å; G106-Q108 VanDerWaalsContact C-N 3.27Å; G106-Q108 PolarHBondContact O-N 2.85Å
107	I	91.5	Very high	93.9	Very high	59 Å²	59	79.4 Å²	79.4	30%	0.303	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.3	175.9	62.6	172.4	0	0	0	113.5	F105 S109 L110 C111 H162 L207	F105-I107 PolarHBondContact O-N 3.38Å; I107-S109 VanDerWaalsContact C-N 3.34Å; I107-S109 PolarHBondContact O-N 2.85Å; I107-L110 PolarHBondContact O-N 3.18Å; I107-C111 PolarHBondContact O-N 2.88Å; I107-C111 PolarHBondContact O-SG 3.44Å; I107-H162 HydrophobicContact CD1-CB 4.28Å; I107-L207 HydrophobicContact CD1-CD1 4.18Å; I107-L207 HydrophobicContact CD1-CD2 4.46Å; I107-L207 HydrophobicContact CG1-CD2 4.02Å
108	Q	92.6	Very high	93.7	Very high	36 Å²	36	72.7 Å²	72.7	17%	0.168	39%	0.39	C	S	.	.	H	α-helix	trans	-57.5	-42.7	-170.5	-174.3	-179.3	-14.1	0	0	113	F105 G106 C111 K112 L207 L212	F105-Q108 WeakPolarHBondContact O-CB 3Å; F105-Q108 PolarHBondContact O-N 3.23Å; G106-Q108 VanDerWaalsContact C-N 3.27Å; G106-Q108 PolarHBondContact O-N 2.85Å; Q108-C111 PolarHBondContact O-N 3.4Å; Q108-K112 WeakPolarHBondContact O-CG 3.19Å; Q108-K112 PolarHBondContact O-N 3.25Å; Q108-K112 VanDerWaalsContact O-N 3.15Å; Q108-L207 HydrophobicContact CB-CD2 4.34Å; Q108-L212 HydrophobicContact CG-CD1 3.22Å
109	S	92.9	Very high	93.5	Very high	79 Å²	79	69.2 Å²	69.2	55%	0.552	38%	0.375	S	S	*	.	H	α-helix	trans	-63.9	-48.9	178.6	49.7	0	0	0	0	111.6	I107 C111 K112 D113	I107-S109 VanDerWaalsContact C-N 3.34Å; I107-S109 PolarHBondContact O-N 2.85Å; S109-C111 VanDerWaalsContact C-N 3.26Å; S109-C111 PolarHBondContact O-N 2.85Å; S109-K112 WeakPolarHBondContact O-CB 3.33Å; S109-K112 PolarHBondContact O-N 2.98Å; S109-D113 PolarHBondContact O-N 2.86Å
110	L	92.3	Very high	93.3	Very high	100 Å²	100	70.5 Å²	70.5	52%	0.524	38%	0.382	S	S	.	.	H	α-helix	trans	-56.6	-41.9	175.9	177.9	66	0	0	0	111.5	I107 K112 D113 L114	I107-L110 PolarHBondContact O-N 3.18Å; L110-K112 VanDerWaalsContact C-N 3.34Å; L110-K112 PolarHBondContact O-N 3.29Å; L110-D113 PolarHBondContact O-N 2.81Å; L110-L114 HydrophobicContact CD1-CD1 4.47Å; L110-L114 HydrophobicContact CG-CD1 4.16Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 2.97Å; L110-L114 VanDerWaalsContact O-N 3.09Å
111	C	93.6	Very high	93.2	Very high	6 Å²	6	68.3 Å²	68.3	4%	0.041	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-41.8	177.2	-61.7	0	0	0	0	111.7	I107 Q108 S109 D113 L114 L115 L164 L212	I107-C111 PolarHBondContact O-N 2.88Å; I107-C111 PolarHBondContact O-SG 3.44Å; Q108-C111 PolarHBondContact O-N 3.4Å; S109-C111 VanDerWaalsContact C-N 3.26Å; S109-C111 PolarHBondContact O-N 2.85Å; C111-D113 VanDerWaalsContact C-N 3.34Å; C111-D113 PolarHBondContact O-N 3.33Å; C111-L114 PolarHBondContact O-N 2.94Å; C111-L115 VanDerWaalsContact O-CG 3.32Å; C111-L115 WeakPolarHBondContact O-CG 3.37Å; C111-L115 PolarHBondContact O-N 2.82Å; C111-L164 HydrophobicContact CB-CD1 4.07Å; C111-L164 HydrophobicContact CB-CD2 4.19Å; C111-L212 HydrophobicContact CB-CD2 3.47Å; C111-L212 VanDerWaalsContact CB-CD2 3.47Å
112	K	92.5	Very high	93.1	Very high	102 Å²	102	64.2 Å²	64.2	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-58.2	-46.4	178.8	-70.7	-178.2	177.8	-174.7	0	111.7	Q108 S109 L110 L114 L115 E116 L212	Q108-K112 WeakPolarHBondContact O-CG 3.19Å; Q108-K112 PolarHBondContact O-N 3.25Å; Q108-K112 VanDerWaalsContact O-N 3.15Å; S109-K112 WeakPolarHBondContact O-CB 3.33Å; S109-K112 PolarHBondContact O-N 2.98Å; L110-K112 VanDerWaalsContact C-N 3.34Å; L110-K112 PolarHBondContact O-N 3.29Å; K112-L114 VanDerWaalsContact C-N 3.31Å; K112-L114 PolarHBondContact O-N 3.03Å; K112-L115 WeakPolarHBondContact O-CB 3.24Å; K112-L115 PolarHBondContact O-N 3.13Å; K112-L115 VanDerWaalsContact O-N 3.15Å; K112-E116 PolarHBondContact O-N 3.34Å; K112-L212 HydrophobicContact CD-CD1 4.08Å; K112-L212 HydrophobicContact CG-CD1 3.51Å; K112-L212 HydrophobicContact CG-CD2 4Å; K112-L212 HydrophobicContact CG-CG 3.76Å
113	D	93.9	Very high	93	Very high	98 Å²	98	64.4 Å²	64.4	52%	0.524	35%	0.35	S	S	.	.	H	α-helix	trans	-65.6	-37.6	-180	-55.8	-18.6	0	0	0	110.9	S109 L110 C111 L115 E116	S109-D113 PolarHBondContact O-N 2.86Å; L110-D113 PolarHBondContact O-N 2.81Å; C111-D113 VanDerWaalsContact C-N 3.34Å; C111-D113 PolarHBondContact O-N 3.33Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 2.87Å; D113-E116 WeakPolarHBondContact O-CB 3.5Å; D113-E116 PolarHBondContact O-N 2.93Å
114	L	93.7	Very high	93	Very high	59 Å²	59	59.5 Å²	59.5	31%	0.309	34%	0.336	S	S	.	.	H	α-helix	trans	-68.8	-26.1	175	-69.9	175.9	0	0	0	113.6	L110 C111 K112 E116 V117 A118 F159	L110-L114 HydrophobicContact CD1-CD1 4.47Å; L110-L114 HydrophobicContact CG-CD1 4.16Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 2.97Å; L110-L114 VanDerWaalsContact O-N 3.09Å; C111-L114 PolarHBondContact O-N 2.94Å; K112-L114 VanDerWaalsContact C-N 3.31Å; K112-L114 PolarHBondContact O-N 3.03Å; L114-E116 VanDerWaalsContact C-N 3.3Å; L114-V117 PolarHBondContact O-N 3.4Å; L114-A118 PolarHBondContact O-N 3.13Å; L114-F159 HydrophobicContact CB-CE1 4.06Å; L114-F159 HydrophobicContact CB-CZ 4.17Å; L114-F159 HydrophobicContact CD1-CE1 4.41Å
115	L	92.9	Very high	93	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-34	173.8	-63.9	-174.2	0	0	0	111.7	C111 K112 D113 V117 A118 D119 F159 Y205 L212 R213	C111-L115 VanDerWaalsContact O-CG 3.32Å; C111-L115 WeakPolarHBondContact O-CG 3.37Å; C111-L115 PolarHBondContact O-N 2.82Å; K112-L115 WeakPolarHBondContact O-CB 3.24Å; K112-L115 PolarHBondContact O-N 3.13Å; K112-L115 VanDerWaalsContact O-N 3.15Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 2.87Å; L115-V117 VanDerWaalsContact C-N 3.32Å; L115-A118 PolarHBondContact O-N 2.98Å; L115-D119 PolarHBondContact O-N 2.91Å; L115-F159 HydrophobicContact CD2-CE2 4.03Å; L115-F159 HydrophobicContact CD2-CZ 4.17Å; L115-Y205 HydrophobicContact CD1-CD2 3.72Å; L115-Y205 HydrophobicContact CD1-CG 3.98Å; L115-Y205 HydrophobicContact CD2-CD1 3.83Å; L115-Y205 HydrophobicContact CD2-CD2 3.4Å; L115-Y205 VanDerWaalsContact CD2-CD2 3.4Å; L115-Y205 HydrophobicContact CD2-CE1 4.11Å; L115-Y205 HydrophobicContact CD2-CE2 3.7Å; L115-Y205 HydrophobicContact CD2-CG 3.46Å; L115-Y205 VanDerWaalsContact CD2-CG 3.46Å; L115-Y205 HydrophobicContact CG-CD2 4.08Å; L115-Y205 HydrophobicContact CG-CG 4.35Å; L115-L212 HydrophobicContact CD1-CD2 4Å; L115-L212 HydrophobicContact CD1-CG 4.31Å; L115-R213 HydrophobicContact CD1-CB 4.03Å
116	E	91.9	Very high	92.9	Very high	125 Å²	125	61.2 Å²	61.2	58%	0.584	34%	0.342	S	S	*	.	H	α-helix	trans	-64.5	-40.2	174.9	-59.6	-173.8	171.4	0	0	111	K112 D113 L114 D119 I120	K112-E116 PolarHBondContact O-N 3.34Å; D113-E116 WeakPolarHBondContact O-CB 3.5Å; D113-E116 PolarHBondContact O-N 2.93Å; L114-E116 VanDerWaalsContact C-N 3.3Å; E116-D119 PolarHBondContact O-N 2.92Å; E116-I120 WeakPolarHBondContact O-CD1 3.36Å; E116-I120 VanDerWaalsContact O-CG1 3.25Å; E116-I120 WeakPolarHBondContact O-CG1 3.19Å; E116-I120 PolarHBondContact O-N 2.9Å
117	V	93.8	Very high	92.9	Very high	70 Å²	70	62.9 Å²	62.9	42%	0.424	35%	0.345	S	S	.	.	H	α-helix	trans	-63.5	-43.3	174.1	-178.4	0	0	0	0	111	L114 L115 D119 I120 L121	L114-V117 PolarHBondContact O-N 3.4Å; L115-V117 VanDerWaalsContact C-N 3.32Å; V117-D119 VanDerWaalsContact C-N 3.35Å; V117-D119 PolarHBondContact O-N 3.16Å; V117-I120 PolarHBondContact O-N 3.15Å; V117-L121 HydrophobicContact CG1-CD1 4.42Å; V117-L121 WeakPolarHBondContact O-CG 3.33Å; V117-L121 PolarHBondContact O-N 3.08Å
118	A	93.7	Very high	92.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.2	-46.2	176.1	0	0	0	0	0	111.3	L114 L115 I120 L121 T122 L155 F159	L114-A118 PolarHBondContact O-N 3.13Å; L115-A118 PolarHBondContact O-N 2.98Å; A118-I120 VanDerWaalsContact C-N 3.33Å; A118-I120 PolarHBondContact O-N 3.2Å; A118-L121 PolarHBondContact O-N 3.18Å; A118-T122 PolarHBondContact O-N 3.08Å; A118-T122 PolarHBondContact O-OG1 3.21Å; A118-T122 VanDerWaalsContact O-OG1 3.07Å; A118-L155 HydrophobicContact CB-CD2 3.68Å; A118-F159 HydrophobicContact CB-CE2 4.02Å; A118-F159 HydrophobicContact CB-CZ 4.28Å
119	D	92.8	Very high	92.6	Very high	39 Å²	39	61.8 Å²	61.8	21%	0.209	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-39.6	177.9	-72.5	-7.1	0	0	0	112.4	L115 E116 V117 T122 S123 R213	L115-D119 PolarHBondContact O-N 2.91Å; E116-D119 PolarHBondContact O-N 2.92Å; V117-D119 VanDerWaalsContact C-N 3.35Å; V117-D119 PolarHBondContact O-N 3.16Å; D119-T122 PolarHBondContact O-N 3.12Å; D119-S123 VanDerWaalsContact O-CB 3.27Å; D119-S123 WeakPolarHBondContact O-CB 3.49Å; D119-S123 PolarHBondContact O-N 2.82Å; D119-R213 IonicContact OD1-CZ 3.29Å; D119-R213 IonicContact OD1-NH1 2.64Å; D119-R213 IonicContact OD1-NH2 3.96Å; D119-R213 PolarHBondContact OD1-NH2 3.18Å; D119-R213 IonicContact OD2-CZ 2.79Å; D119-R213 VanDerWaalsContact OD2-CZ 3.29Å; D119-R213 IonicContact OD2-NH1 3.18Å; D119-R213 PolarHBondContact OD2-NH1 2.77Å; D119-R213 IonicContact OD2-NH2 2.73Å; D119-R213 PolarHBondContact OD2-NH2 3.04Å
120	I	94.3	Very high	92.3	Very high	116 Å²	116	63.8 Å²	63.8	60%	0.595	35%	0.346	S	S	*	.	H	α-helix	trans	-64.7	-42.4	176.7	-67.7	162.4	0	0	0	110.4	E116 V117 A118 S123 A124	E116-I120 WeakPolarHBondContact O-CD1 3.36Å; E116-I120 VanDerWaalsContact O-CG1 3.25Å; E116-I120 WeakPolarHBondContact O-CG1 3.19Å; E116-I120 PolarHBondContact O-N 2.9Å; V117-I120 PolarHBondContact O-N 3.15Å; A118-I120 VanDerWaalsContact C-N 3.33Å; A118-I120 PolarHBondContact O-N 3.2Å; I120-S123 WeakPolarHBondContact O-CB 3.42Å; I120-S123 PolarHBondContact O-N 3.2Å; I120-A124 WeakPolarHBondContact O-CB 3.22Å; I120-A124 PolarHBondContact O-N 2.78Å
121	L	94.3	Very high	92	Very high	35 Å²	35	64.2 Å²	64.2	18%	0.183	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-47.6	175.8	-70.9	174.2	0	0	0	111.2	V117 A118 S123 A124 T125 L148 L155	V117-L121 HydrophobicContact CG1-CD1 4.42Å; V117-L121 WeakPolarHBondContact O-CG 3.33Å; V117-L121 PolarHBondContact O-N 3.08Å; A118-L121 PolarHBondContact O-N 3.18Å; L121-S123 VanDerWaalsContact C-N 3.27Å; L121-S123 PolarHBondContact O-N 3.45Å; L121-A124 PolarHBondContact O-N 2.87Å; L121-A124 VanDerWaalsContact O-N 3.17Å; L121-T125 WeakPolarHBondContact O-CG2 3.29Å; L121-T125 PolarHBondContact O-N 2.9Å; L121-T125 PolarHBondContact O-OG1 2.95Å; L121-L148 HydrophobicContact CD2-CD2 4.48Å; L121-L155 HydrophobicContact CD1-CD2 4.04Å
122	T	92.7	Very high	91.7	Very high	29 Å²	29	67.8 Å²	67.8	18%	0.178	37%	0.365	C	S	.	.	H	α-helix	trans	-62.2	-35.8	176	-53.2	0	0	0	0	111.7	A118 D119 T125 K126 E152	A118-T122 PolarHBondContact O-N 3.08Å; A118-T122 PolarHBondContact O-OG1 3.21Å; A118-T122 VanDerWaalsContact O-OG1 3.07Å; D119-T122 PolarHBondContact O-N 3.12Å; T122-T125 WeakPolarHBondContact CA-OG1 3.28Å; T122-T125 PolarHBondContact O-OG1 3.12Å; T122-T125 VanDerWaalsContact O-OG1 3.07Å; T122-K126 HydrophobicContact CG2-CD 4.12Å; T122-K126 WeakPolarHBondContact O-CB 3.17Å; T122-K126 WeakPolarHBondContact O-CG 3Å; T122-K126 PolarHBondContact O-N 3.4Å; T122-E152 WeakPolarHBondContact CB-OE1 3.35Å; T122-E152 PolarHBondContact OG1-OE1 3.45Å
123	S	91.9	Very high	91.2	Very high	66 Å²	66	64.3 Å²	64.3	46%	0.462	35%	0.351	S	S	.	.	H	α-helix	trans	-67.7	-41.5	174.9	-172.2	0	0	0	0	111.7	D119 I120 L121 K126 S127	D119-S123 VanDerWaalsContact O-CB 3.27Å; D119-S123 WeakPolarHBondContact O-CB 3.49Å; D119-S123 PolarHBondContact O-N 2.82Å; I120-S123 WeakPolarHBondContact O-CB 3.42Å; I120-S123 PolarHBondContact O-N 3.2Å; L121-S123 VanDerWaalsContact C-N 3.27Å; L121-S123 PolarHBondContact O-N 3.45Å; S123-K126 PolarHBondContact O-N 2.94Å; S123-S127 VanDerWaalsContact O-CB 3.28Å; S123-S127 WeakPolarHBondContact O-CB 3.22Å; S123-S127 PolarHBondContact O-N 3.27Å; S123-S127 PolarHBondContact O-OG 3.46Å
124	A	93.2	Very high	90.6	Very high	43 Å²	43	65.3 Å²	65.3	36%	0.355	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-41.9	177	0	0	0	0	0	111.9	I120 L121 S127 A128	I120-A124 WeakPolarHBondContact O-CB 3.22Å; I120-A124 PolarHBondContact O-N 2.78Å; L121-A124 PolarHBondContact O-N 2.87Å; L121-A124 VanDerWaalsContact O-N 3.17Å; A124-S127 PolarHBondContact O-N 3.15Å; A124-A128 PolarHBondContact O-N 3.21Å
125	T	91.9	Very high	90	Very high	11 Å²	11	70.4 Å²	70.4	7%	0.067	38%	0.378	C	S	.	.	H	α-helix	trans	-69.3	-33.4	176.3	56.2	0	0	0	0	112.1	L121 T122 Y145 L148 V149 E152	L121-T125 WeakPolarHBondContact O-CG2 3.29Å; L121-T125 PolarHBondContact O-N 2.9Å; L121-T125 PolarHBondContact O-OG1 2.95Å; T122-T125 WeakPolarHBondContact CA-OG1 3.28Å; T122-T125 PolarHBondContact O-OG1 3.12Å; T122-T125 VanDerWaalsContact O-OG1 3.07Å; T125-Y145 HydrophobicContact CG2-CE2 4.45Å; T125-Y145 WeakPolarHBondContact O-CE2 3.46Å; T125-L148 HydrophobicContact CG2-CB 4.16Å; T125-V149 HydrophobicContact CG2-CG2 4.13Å; T125-E152 PolarHBondContact OG1-OE2 3.08Å
126	K	91.4	Very high	89.4	Confident	156 Å²	156	73.6 Å²	73.6	68%	0.678	41%	0.412	S	S	*	.	H	α-helix	trans	-73.4	-33.2	173.7	-74.6	174.7	-179.2	178.6	0	114	T122 S123 A128	T122-K126 HydrophobicContact CG2-CD 4.12Å; T122-K126 WeakPolarHBondContact O-CB 3.17Å; T122-K126 WeakPolarHBondContact O-CG 3Å; T122-K126 PolarHBondContact O-N 3.4Å; S123-K126 PolarHBondContact O-N 2.94Å; K126-A128 VanDerWaalsContact C-N 3.28Å; K126-A128 PolarHBondContact O-N 3.3Å
127	S	92.3	Very high	89	Confident	89 Å²	89	71.4 Å²	71.4	62%	0.622	41%	0.407	S	S	*	.	H	α-helix	trans	-79.7	-9.3	-177.5	-58.3	0	0	0	0	113.5	S123 A124	S123-S127 VanDerWaalsContact O-CB 3.28Å; S123-S127 WeakPolarHBondContact O-CB 3.22Å; S123-S127 PolarHBondContact O-N 3.27Å; S123-S127 PolarHBondContact O-OG 3.46Å; A124-S127 PolarHBondContact O-N 3.15Å
128	A	90.6	Very high	88.7	Confident	12 Å²	12	71.2 Å²	71.2	10%	0.099	40%	0.404	C	S	.	.	S	Bend	trans	-66	127.4	179.5	0	0	0	0	0	111.1	A124 K126 Q130 L133 F141 Y145	A124-A128 PolarHBondContact O-N 3.21Å; K126-A128 VanDerWaalsContact C-N 3.28Å; K126-A128 PolarHBondContact O-N 3.3Å; A128-Q130 PolarHBondContact O-N 2.77Å; A128-Q130 VanDerWaalsContact O-N 3.14Å; A128-L133 HydrophobicContact CB-CD1 4.47Å; A128-F141 HydrophobicContact CB-CZ 4.27Å; A128-Y145 HydrophobicContact CB-CD2 3.57Å; A128-Y145 HydrophobicContact CB-CE2 3.65Å
129	P	88.6	Confident	88.4	Confident	60 Å²	60	74.6 Å²	74.6	39%	0.39	43%	0.426	S	S	.	.			trans	-65.7	114.4	178.9	24.9	-33.8	0	0	0	111	D131 Q132 F141	P129-D131 PolarHBondContact O-N 3.46Å; P129-Q132 HydrophobicContact CB-CG 4.26Å; P129-Q132 HydrophobicContact CG-CB 4.15Å; P129-Q132 HydrophobicContact CG-CG 3.92Å; P129-Q132 PolarHBondContact O-N 3.35Å; P129-F141 HydrophobicContact CG-CE1 4.18Å; P129-F141 HydrophobicContact CG-CZ 4.19Å
130	Q	86	Confident	88.2	Confident	121 Å²	121	77.5 Å²	77.5	57%	0.565	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-58.8	-30.5	-178.3	-65.4	-65.8	-25.2	0	0	112.8	A128 Q132 L133	A128-Q130 PolarHBondContact O-N 2.77Å; A128-Q130 VanDerWaalsContact O-N 3.14Å; Q130-Q132 VanDerWaalsContact C-N 3.25Å; Q130-Q132 PolarHBondContact O-N 2.85Å; Q130-L133 PolarHBondContact O-N 2.86Å
131	D	87.1	Confident	88.1	Confident	109 Å²	109	74.7 Å²	74.7	58%	0.583	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-66	-26.6	178	-67.8	-47.3	0	0	0	113.7	P129 K134	P129-D131 PolarHBondContact O-N 3.46Å; D131-K134 IonicContact OD1-NZ 2.77Å; D131-K134 PolarHBondContact OD1-NZ 3.06Å
132	Q	85.8	Confident	87.9	Confident	80 Å²	80	74.3 Å²	74.3	37%	0.374	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-86.9	-11.9	177.4	-61.5	-171.7	-4.5	0	0	113.1	P129 Q130 F141	P129-Q132 HydrophobicContact CB-CG 4.26Å; P129-Q132 HydrophobicContact CG-CB 4.15Å; P129-Q132 HydrophobicContact CG-CG 3.92Å; P129-Q132 PolarHBondContact O-N 3.35Å; Q130-Q132 VanDerWaalsContact C-N 3.25Å; Q130-Q132 PolarHBondContact O-N 2.85Å; Q132-F141 HydrophobicContact CB-CD1 3.71Å; Q132-F141 HydrophobicContact CB-CE1 3.93Å
133	L	82.4	Confident	87.8	Confident	30 Å²	30	78.5 Å²	78.5	16%	0.157	45%	0.453	C	S	.	.	S	Bend	trans	-85.5	-9.5	178.1	-61.9	177.7	0	0	0	112.9	A128 Q130 F141 Y145	A128-L133 HydrophobicContact CB-CD1 4.47Å; Q130-L133 PolarHBondContact O-N 2.86Å; L133-F141 HydrophobicContact CD2-CD1 3.85Å; L133-F141 HydrophobicContact CD2-CE1 3.67Å; L133-F141 HydrophobicContact CG-CE1 4.28Å; L133-Y145 HydrophobicContact CD1-CD1 4Å; L133-Y145 HydrophobicContact CD1-CD2 4.13Å; L133-Y145 HydrophobicContact CD1-CE1 3.96Å; L133-Y145 HydrophobicContact CD1-CE2 4.07Å; L133-Y145 HydrophobicContact CD1-CG 4.08Å; L133-Y145 HydrophobicContact CD2-CD1 3.87Å; L133-Y145 HydrophobicContact CD2-CD2 4.1Å; L133-Y145 HydrophobicContact CD2-CG 3.55Å
134	K	82.2	Confident	87.8	Confident	118 Å²	118	80.5 Å²	80.5	51%	0.513	46%	0.458	S	S	.	.	S	Bend	trans	-63.2	138.3	177	-65.9	174.7	-171.8	159.7	0	110.5	D131 G136 V137	D131-K134 IonicContact OD1-NZ 2.77Å; D131-K134 PolarHBondContact OD1-NZ 3.06Å; K134-G136 PolarHBondContact O-N 3.3Å; K134-V137 HydrophobicContact CB-CG2 3.77Å; K134-V137 WeakPolarHBondContact O-CB 3.32Å; K134-V137 PolarHBondContact O-N 3.24Å; K134-V137 VanDerWaalsContact O-N 3.11Å
135	D	80.7	Confident	87.8	Confident	167 Å²	167	81.3 Å²	81.3	89%	0.893	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	129.1	-178.2	-65.8	-38.8	0	0	0	111.5	V137	D135-V137 VanDerWaalsContact C-N 3.31Å; D135-V137 PolarHBondContact O-N 3.28Å
136	G	80.8	Confident	87.9	Confident	70 Å²	70	86.1 Å²	86.1	72%	0.722	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-11.1	179	0	0	0	0	0	116.2	K134	K134-G136 PolarHBondContact O-N 3.3Å
137	V	83	Confident	88.1	Confident	78 Å²	78	80.2 Å²	80.2	47%	0.473	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-55.5	179.2	179.6	0	0	0	0	111	K134 D135	K134-V137 HydrophobicContact CB-CG2 3.77Å; K134-V137 WeakPolarHBondContact O-CB 3.32Å; K134-V137 PolarHBondContact O-N 3.24Å; K134-V137 VanDerWaalsContact O-N 3.11Å; D135-V137 VanDerWaalsContact C-N 3.31Å; D135-V137 PolarHBondContact O-N 3.28Å
138	N	87.4	Confident	88.2	Confident	67 Å²	67	78.6 Å²	78.6	36%	0.358	44%	0.441	S	S	.	.			trans	-145.7	80.5	178	-76.4	-41.6	0	0	0	111.1	P140 F141 A142	N138-P140 VanDerWaalsContact C-CD 3.44Å; N138-F141 HydrophobicContact CB-CB 3.91Å; N138-F141 PolarHBondContact O-N 3.37Å; N138-A142 PolarHBondContact O-N 3.04Å; N138-A142 VanDerWaalsContact O-N 3.11Å
139	P	87.1	Confident	88.4	Confident	71 Å²	71	80.7 Å²	80.7	46%	0.461	45%	0.453	S	S	.	.	H	α-helix	trans	-52.9	-40.7	-177.4	-23.7	31.4	0	0	0	115.3	F141 A142 N143	P139-F141 VanDerWaalsContact C-N 3.3Å; P139-F141 PolarHBondContact O-N 3.28Å; P139-A142 PolarHBondContact O-N 2.97Å; P139-N143 VanDerWaalsContact O-CG 3.27Å; P139-N143 PolarHBondContact O-N 2.73Å; P139-N143 PolarHBondContact O-ND2 3.35Å
140	P	89.3	Confident	88.8	Confident	99 Å²	99	82.2 Å²	82.2	64%	0.643	46%	0.457	S	S	*	.	H	α-helix	trans	-62.8	-35.6	177.2	-22.8	34.3	0	0	0	113.3	N138 L144	N138-P140 VanDerWaalsContact C-CD 3.44Å; P140-L144 PolarHBondContact O-N 2.82Å; P140-L144 VanDerWaalsContact O-N 3.13Å
141	F	90.9	Very high	89.3	Confident	58 Å²	58	79.9 Å²	79.9	25%	0.254	45%	0.451	S	S	.	.	H	α-helix	trans	-72.8	-43.8	179.9	-175.5	-103.8	0	0	0	111.5	A128 P129 Q132 L133 N138 P139 N143 L144 Y145	A128-F141 HydrophobicContact CB-CZ 4.27Å; P129-F141 HydrophobicContact CG-CE1 4.18Å; P129-F141 HydrophobicContact CG-CZ 4.19Å; Q132-F141 HydrophobicContact CB-CD1 3.71Å; Q132-F141 HydrophobicContact CB-CE1 3.93Å; L133-F141 HydrophobicContact CD2-CD1 3.85Å; L133-F141 HydrophobicContact CD2-CE1 3.67Å; L133-F141 HydrophobicContact CG-CE1 4.28Å; N138-F141 HydrophobicContact CB-CB 3.91Å; N138-F141 PolarHBondContact O-N 3.37Å; P139-F141 VanDerWaalsContact C-N 3.3Å; P139-F141 PolarHBondContact O-N 3.28Å; F141-N143 VanDerWaalsContact C-N 3.3Å; F141-N143 PolarHBondContact O-N 3.06Å; F141-L144 PolarHBondContact O-N 3.26Å; F141-Y145 PolarHBondContact O-N 3.36Å
142	A	90.4	Very high	89.6	Confident	26 Å²	26	76 Å²	76	22%	0.215	43%	0.429	C	S	.	.	H	α-helix	trans	-59	-41.7	174.5	0	0	0	0	0	111.9	N138 P139 L144 Y145 H146	N138-A142 PolarHBondContact O-N 3.04Å; N138-A142 VanDerWaalsContact O-N 3.11Å; P139-A142 PolarHBondContact O-N 2.97Å; A142-L144 PolarHBondContact O-N 3.28Å; A142-Y145 PolarHBondContact O-N 3.41Å; A142-H146 WeakPolarHBondContact O-CB 3.24Å; A142-H146 PolarHBondContact O-N 2.97Å
143	N	91.7	Very high	90	Very high	118 Å²	118	74 Å²	74	63%	0.631	43%	0.425	S	S	*	.	H	α-helix	trans	-63.2	-40.7	175.5	-71.8	-20.6	0	0	0	112.6	P139 F141 H146 G147	P139-N143 VanDerWaalsContact O-CG 3.27Å; P139-N143 PolarHBondContact O-N 2.73Å; P139-N143 PolarHBondContact O-ND2 3.35Å; F141-N143 VanDerWaalsContact C-N 3.3Å; F141-N143 PolarHBondContact O-N 3.06Å; N143-H146 PolarHBondContact O-N 3.2Å; N143-G147 PolarHBondContact O-N 3.18Å
144	L	91.7	Very high	90.7	Very high	108 Å²	108	77 Å²	77	57%	0.565	44%	0.438	S	S	*	.	H	α-helix	trans	-64	-46.3	175.6	178.7	63.8	0	0	0	111.3	P140 F141 A142 H146 G147 L148	P140-L144 PolarHBondContact O-N 2.82Å; P140-L144 VanDerWaalsContact O-N 3.13Å; F141-L144 PolarHBondContact O-N 3.26Å; A142-L144 PolarHBondContact O-N 3.28Å; L144-H146 VanDerWaalsContact C-N 3.35Å; L144-H146 PolarHBondContact O-N 3.42Å; L144-G147 WeakPolarHBondContact O-CA 3.48Å; L144-G147 PolarHBondContact O-N 2.64Å; L144-G147 VanDerWaalsContact O-N 3.13Å; L144-L148 PolarHBondContact O-N 2.94Å
145	Y	93.7	Very high	91.2	Very high	59 Å²	59	72.8 Å²	72.8	23%	0.231	42%	0.421	C	S	.	.	H	α-helix	trans	-57.7	-47.6	176.3	179.1	-98.5	0	0	0	111.6	T125 A128 L133 F141 A142 G147 L148 V149	T125-Y145 HydrophobicContact CG2-CE2 4.45Å; T125-Y145 WeakPolarHBondContact O-CE2 3.46Å; A128-Y145 HydrophobicContact CB-CD2 3.57Å; A128-Y145 HydrophobicContact CB-CE2 3.65Å; L133-Y145 HydrophobicContact CD1-CD1 4Å; L133-Y145 HydrophobicContact CD1-CD2 4.13Å; L133-Y145 HydrophobicContact CD1-CE1 3.96Å; L133-Y145 HydrophobicContact CD1-CE2 4.07Å; L133-Y145 HydrophobicContact CD1-CG 4.08Å; L133-Y145 HydrophobicContact CD2-CD1 3.87Å; L133-Y145 HydrophobicContact CD2-CD2 4.1Å; L133-Y145 HydrophobicContact CD2-CG 3.55Å; F141-Y145 PolarHBondContact O-N 3.36Å; A142-Y145 PolarHBondContact O-N 3.41Å; Y145-G147 VanDerWaalsContact C-N 3.28Å; Y145-G147 PolarHBondContact O-N 3.28Å; Y145-L148 WeakPolarHBondContact O-CB 3.43Å; Y145-L148 PolarHBondContact O-N 3.3Å; Y145-L148 VanDerWaalsContact O-N 3.08Å; Y145-V149 HydrophobicContact CD1-CG2 4.13Å; Y145-V149 HydrophobicContact CE1-CG2 3.7Å; Y145-V149 HydrophobicContact CE2-CG2 4.45Å; Y145-V149 WeakPolarHBondContact O-CG2 3.35Å; Y145-V149 PolarHBondContact O-N 3.15Å
146	H	92.6	Very high	91.8	Very high	113 Å²	113	67.4 Å²	67.4	52%	0.523	39%	0.389	S	S	.	.	H	α-helix	trans	-59.7	-40.2	175.7	-175.1	-92.1	0	0	0	111.8	A142 N143 L144 L148 V149 L150	A142-H146 WeakPolarHBondContact O-CB 3.24Å; A142-H146 PolarHBondContact O-N 2.97Å; N143-H146 PolarHBondContact O-N 3.2Å; L144-H146 VanDerWaalsContact C-N 3.35Å; L144-H146 PolarHBondContact O-N 3.42Å; H146-L148 VanDerWaalsContact C-N 3.33Å; H146-L148 PolarHBondContact O-N 2.79Å; H146-V149 PolarHBondContact O-N 3.44Å; H146-L150 WeakPolarHBondContact O-CG 3.2Å; H146-L150 PolarHBondContact O-N 3.09Å
147	G	95.2	Very high	92.4	Very high	31 Å²	31	69.3 Å²	69.3	32%	0.32	38%	0.378	S	S	.	.	H	α-helix	trans	-57.2	-43.1	172.5	0	0	0	0	0	113.1	N143 L144 Y145 L150 T151	N143-G147 PolarHBondContact O-N 3.18Å; L144-G147 WeakPolarHBondContact O-CA 3.48Å; L144-G147 PolarHBondContact O-N 2.64Å; L144-G147 VanDerWaalsContact O-N 3.13Å; Y145-G147 VanDerWaalsContact C-N 3.28Å; Y145-G147 PolarHBondContact O-N 3.28Å; G147-L150 PolarHBondContact O-N 3.41Å; G147-T151 WeakPolarHBondContact O-CG2 3.15Å; G147-T151 PolarHBondContact O-N 3.27Å; G147-T151 PolarHBondContact O-OG1 3.49Å
148	L	95.1	Very high	92.9	Very high	56 Å²	56	68 Å²	68	29%	0.293	37%	0.37	S	S	.	.	H	α-helix	trans	-66.8	-40.3	176.6	-67.4	175.1	0	0	0	112.7	L121 T125 L144 Y145 H146 L150 T151 E152	L121-L148 HydrophobicContact CD2-CD2 4.48Å; T125-L148 HydrophobicContact CG2-CB 4.16Å; L144-L148 PolarHBondContact O-N 2.94Å; Y145-L148 WeakPolarHBondContact O-CB 3.43Å; Y145-L148 PolarHBondContact O-N 3.3Å; Y145-L148 VanDerWaalsContact O-N 3.08Å; H146-L148 VanDerWaalsContact C-N 3.33Å; H146-L148 PolarHBondContact O-N 2.79Å; L148-L150 VanDerWaalsContact C-N 3.3Å; L148-L150 PolarHBondContact O-N 2.9Å; L148-T151 WeakPolarHBondContact CA-OG1 3.38Å; L148-T151 PolarHBondContact O-N 3.2Å; L148-T151 PolarHBondContact O-OG1 3.44Å; L148-E152 WeakPolarHBondContact O-CB 3.35Å; L148-E152 PolarHBondContact O-N 3.3Å
149	V	95.1	Very high	93.2	Very high	56 Å²	56	65.1 Å²	65.1	34%	0.339	35%	0.354	S	S	.	.	H	α-helix	trans	-64	-39.2	175.4	174.6	0	0	0	0	110.7	T125 Y145 H146 E152 S153	T125-V149 HydrophobicContact CG2-CG2 4.13Å; Y145-V149 HydrophobicContact CD1-CG2 4.13Å; Y145-V149 HydrophobicContact CE1-CG2 3.7Å; Y145-V149 HydrophobicContact CE2-CG2 4.45Å; Y145-V149 WeakPolarHBondContact O-CG2 3.35Å; Y145-V149 PolarHBondContact O-N 3.15Å; H146-V149 PolarHBondContact O-N 3.44Å; V149-E152 PolarHBondContact O-N 3.4Å; V149-S153 WeakPolarHBondContact O-CB 3.2Å; V149-S153 PolarHBondContact O-N 3.33Å
150	L	96.3	Very high	93.4	Very high	91 Å²	91	65.8 Å²	65.8	48%	0.476	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-41.9	175.5	-71.9	-180	0	0	0	112.1	H146 G147 L148 S153 Q154	H146-L150 WeakPolarHBondContact O-CG 3.2Å; H146-L150 PolarHBondContact O-N 3.09Å; G147-L150 PolarHBondContact O-N 3.41Å; L148-L150 VanDerWaalsContact C-N 3.3Å; L148-L150 PolarHBondContact O-N 2.9Å; L150-S153 PolarHBondContact O-N 3.49Å; L150-S153 PolarHBondContact O-OG 2.93Å; L150-Q154 WeakPolarHBondContact O-CB 3.1Å; L150-Q154 PolarHBondContact O-N 3.05Å
151	T	95.9	Very high	93.5	Very high	73 Å²	73	69.6 Å²	69.6	45%	0.448	36%	0.362	S	S	.	.	H	α-helix	trans	-67.3	-40.7	178	54.8	0	0	0	0	111.9	G147 L148 Q154 L155	G147-T151 WeakPolarHBondContact O-CG2 3.15Å; G147-T151 PolarHBondContact O-N 3.27Å; G147-T151 PolarHBondContact O-OG1 3.49Å; L148-T151 WeakPolarHBondContact CA-OG1 3.38Å; L148-T151 PolarHBondContact O-N 3.2Å; L148-T151 PolarHBondContact O-OG1 3.44Å; T151-Q154 PolarHBondContact O-N 3.09Å; T151-L155 PolarHBondContact O-N 3.07Å
152	E	94.6	Very high	93.6	Very high	26 Å²	26	71.5 Å²	71.5	12%	0.121	37%	0.372	C	S	.	.	H	α-helix	trans	-58.8	-47.6	172.2	-178.3	173.7	-158.4	0	0	110.9	T122 T125 L148 V149 Q154 L155 F156	T122-E152 WeakPolarHBondContact CB-OE1 3.35Å; T122-E152 PolarHBondContact OG1-OE1 3.45Å; T125-E152 PolarHBondContact OG1-OE2 3.08Å; L148-E152 WeakPolarHBondContact O-CB 3.35Å; L148-E152 PolarHBondContact O-N 3.3Å; V149-E152 PolarHBondContact O-N 3.4Å; E152-Q154 VanDerWaalsContact C-N 3.26Å; E152-Q154 PolarHBondContact O-N 3.39Å; E152-L155 WeakPolarHBondContact O-CB 3.36Å; E152-L155 PolarHBondContact O-N 2.94Å; E152-L155 VanDerWaalsContact O-N 3.14Å; E152-F156 HydrophobicContact CG-CD2 4.15Å; E152-F156 HydrophobicContact CG-CE2 3.47Å; E152-F156 VanDerWaalsContact CG-CE2 3.47Å; E152-F156 HydrophobicContact CG-CZ 3.84Å; E152-F156 PolarHBondContact O-N 3.44Å
153	S	94.6	Very high	93.6	Very high	40 Å²	40	74.4 Å²	74.4	28%	0.28	38%	0.383	S	S	.	.	H	α-helix	trans	-60.7	-36.2	176.8	83.7	0	0	0	0	112.7	V149 L150 K157	V149-S153 WeakPolarHBondContact O-CB 3.2Å; V149-S153 PolarHBondContact O-N 3.33Å; L150-S153 PolarHBondContact O-N 3.49Å; L150-S153 PolarHBondContact O-OG 2.93Å; S153-K157 WeakPolarHBondContact O-CG 3.33Å; S153-K157 PolarHBondContact O-N 3.06Å; S153-K157 VanDerWaalsContact O-N 3.1Å
154	Q	95.7	Very high	93.7	Very high	93 Å²	93	69.2 Å²	69.2	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-71.1	-36.7	178.6	-171.1	66.8	6	0	0	111.1	L150 T151 E152 K157 V158	L150-Q154 WeakPolarHBondContact O-CB 3.1Å; L150-Q154 PolarHBondContact O-N 3.05Å; T151-Q154 PolarHBondContact O-N 3.09Å; E152-Q154 VanDerWaalsContact C-N 3.26Å; E152-Q154 PolarHBondContact O-N 3.39Å; Q154-K157 WeakPolarHBondContact O-CB 3.5Å; Q154-K157 PolarHBondContact O-N 3.22Å; Q154-V158 WeakPolarHBondContact O-CG2 3.43Å; Q154-V158 PolarHBondContact O-N 3.41Å; Q154-V158 VanDerWaalsContact O-N 3.09Å
155	L	94.3	Very high	93.7	Very high	29 Å²	29	68.1 Å²	68.1	15%	0.152	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-45.4	174.4	-173.3	64.1	0	0	0	111.1	A118 L121 T151 E152 K157 V158 F159	A118-L155 HydrophobicContact CB-CD2 3.68Å; L121-L155 HydrophobicContact CD1-CD2 4.04Å; T151-L155 PolarHBondContact O-N 3.07Å; E152-L155 WeakPolarHBondContact O-CB 3.36Å; E152-L155 PolarHBondContact O-N 2.94Å; E152-L155 VanDerWaalsContact O-N 3.14Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.82Å; L155-V158 WeakPolarHBondContact O-CA 3.42Å; L155-V158 WeakPolarHBondContact O-CB 3.43Å; L155-V158 PolarHBondContact O-N 2.93Å; L155-F159 HydrophobicContact CD1-CE1 3.8Å; L155-F159 HydrophobicContact CD1-CZ 3.9Å; L155-F159 HydrophobicContact CD2-CE2 4.3Å; L155-F159 HydrophobicContact CD2-CZ 3.98Å; L155-F159 HydrophobicContact CG-CE1 4.02Å; L155-F159 HydrophobicContact CG-CE2 4.04Å; L155-F159 HydrophobicContact CG-CZ 3.71Å; L155-F159 PolarHBondContact O-N 2.99Å
156	F	92.3	Very high	93.6	Very high	54 Å²	54	69.7 Å²	69.7	24%	0.237	36%	0.363	C	S	.	.	H	α-helix	trans	-65	-33.4	176.5	-63.8	-35.1	0	0	0	113.4	E152 V158 F159 S160 Y205	E152-F156 HydrophobicContact CG-CD2 4.15Å; E152-F156 HydrophobicContact CG-CE2 3.47Å; E152-F156 VanDerWaalsContact CG-CE2 3.47Å; E152-F156 HydrophobicContact CG-CZ 3.84Å; E152-F156 PolarHBondContact O-N 3.44Å; F156-V158 VanDerWaalsContact C-N 3.32Å; F156-V158 PolarHBondContact O-N 3.48Å; F156-F159 AromaticContact CD1-CD2 3.87Å; F156-F159 HydrophobicContact CD1-CD2 3.87Å; F156-F159 HydrophobicContact CD1-CE2 4.22Å; F156-F159 HydrophobicContact CE1-CD2 4.42Å; F156-F159 HydrophobicContact CE1-CE2 4.41Å; F156-F159 PolarHBondContact O-N 3.36Å; F156-S160 PolarHBondContact O-N 2.99Å; F156-S160 PolarHBondContact O-OG 3.01Å; F156-Y205 WeakPolarHBondContact CE1-OH 3.34Å
157	K	94	Very high	93.4	Very high	109 Å²	109	65.2 Å²	65.2	47%	0.474	34%	0.342	S	S	.	.	H	α-helix	trans	-62.6	-39.2	170.4	-72.8	169.2	-173.6	166.9	0	111.8	S153 Q154 L155 R161	S153-K157 WeakPolarHBondContact O-CG 3.33Å; S153-K157 PolarHBondContact O-N 3.06Å; S153-K157 VanDerWaalsContact O-N 3.1Å; Q154-K157 WeakPolarHBondContact O-CB 3.5Å; Q154-K157 PolarHBondContact O-N 3.22Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.82Å; K157-R161 WeakPolarHBondContact O-CG 3.43Å; K157-R161 PolarHBondContact O-N 3.1Å
158	V	93.3	Very high	93.1	Very high	52 Å²	52	67 Å²	67	32%	0.315	35%	0.35	S	S	.	.	H	α-helix	trans	-66.3	-44.2	175	174.2	0	0	0	0	110.6	Q154 L155 F156 S160 R161 H162	Q154-V158 WeakPolarHBondContact O-CG2 3.43Å; Q154-V158 PolarHBondContact O-N 3.41Å; Q154-V158 VanDerWaalsContact O-N 3.09Å; L155-V158 WeakPolarHBondContact O-CA 3.42Å; L155-V158 WeakPolarHBondContact O-CB 3.43Å; L155-V158 PolarHBondContact O-N 2.93Å; F156-V158 VanDerWaalsContact C-N 3.32Å; F156-V158 PolarHBondContact O-N 3.48Å; V158-S160 VanDerWaalsContact C-N 3.33Å; V158-S160 PolarHBondContact O-N 3.29Å; V158-R161 WeakPolarHBondContact O-CB 3.43Å; V158-R161 PolarHBondContact O-N 3.33Å; V158-H162 PolarHBondContact O-CD2 2.67Å; V158-H162 VanDerWaalsContact O-CD2 3.28Å; V158-H162 PolarHBondContact O-N 2.95Å
159	F	93.9	Very high	92.6	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-57	-46.1	175.7	-70.5	-7	0	0	0	112.2	L114 L115 A118 L155 F156 R161 H162 N163 L164 Y205	L114-F159 HydrophobicContact CB-CE1 4.06Å; L114-F159 HydrophobicContact CB-CZ 4.17Å; L114-F159 HydrophobicContact CD1-CE1 4.41Å; L115-F159 HydrophobicContact CD2-CE2 4.03Å; L115-F159 HydrophobicContact CD2-CZ 4.17Å; A118-F159 HydrophobicContact CB-CE2 4.02Å; A118-F159 HydrophobicContact CB-CZ 4.28Å; L155-F159 HydrophobicContact CD1-CE1 3.8Å; L155-F159 HydrophobicContact CD1-CZ 3.9Å; L155-F159 HydrophobicContact CD2-CE2 4.3Å; L155-F159 HydrophobicContact CD2-CZ 3.98Å; L155-F159 HydrophobicContact CG-CE1 4.02Å; L155-F159 HydrophobicContact CG-CE2 4.04Å; L155-F159 HydrophobicContact CG-CZ 3.71Å; L155-F159 PolarHBondContact O-N 2.99Å; F156-F159 AromaticContact CD1-CD2 3.87Å; F156-F159 HydrophobicContact CD1-CD2 3.87Å; F156-F159 HydrophobicContact CD1-CE2 4.22Å; F156-F159 HydrophobicContact CE1-CD2 4.42Å; F156-F159 HydrophobicContact CE1-CE2 4.41Å; F156-F159 PolarHBondContact O-N 3.36Å; F159-R161 VanDerWaalsContact C-N 3.3Å; F159-R161 PolarHBondContact O-N 3.21Å; F159-H162 CarbonylContact O-C 3.52Å; F159-H162 PolarHBondContact O-N 3.28Å; F159-N163 PolarHBondContact O-N 3.38Å; F159-L164 HydrophobicContact CB-CB 3.79Å; F159-L164 HydrophobicContact CB-CD1 4.17Å; F159-L164 HydrophobicContact CD1-CD1 3.62Å; F159-L164 HydrophobicContact CE1-CD1 4.18Å; F159-L164 HydrophobicContact CG-CB 4.29Å; F159-L164 HydrophobicContact CG-CD1 3.95Å; F159-L164 WeakPolarHBondContact O-CB 3.45Å; F159-L164 PolarHBondContact O-N 3.49Å; F159-Y205 HydrophobicContact CD2-CE1 4.06Å; F159-Y205 HydrophobicContact CE2-CE1 4.24Å
160	S	91.2	Very high	92.3	Very high	85 Å²	85	69.4 Å²	69.4	59%	0.594	36%	0.357	S	S	*	.	H	α-helix	trans	-59.8	-37.8	178.7	-57.4	0	0	0	0	112.6	F156 V158 H162 N163	F156-S160 PolarHBondContact O-N 2.99Å; F156-S160 PolarHBondContact O-OG 3.01Å; V158-S160 VanDerWaalsContact C-N 3.33Å; V158-S160 PolarHBondContact O-N 3.29Å; S160-H162 VanDerWaalsContact C-N 3.26Å; S160-H162 PolarHBondContact O-N 3.33Å; S160-N163 PolarHBondContact O-N 2.93Å
161	R	92	Very high	91.8	Very high	178 Å²	178	69 Å²	69	67%	0.672	36%	0.358	S	S	*	.	H	α-helix	trans	-64.9	-28.9	177	-70.1	172.4	-172.9	-179.2	1.3	113.4	K157 V158 F159	K157-R161 WeakPolarHBondContact O-CG 3.43Å; K157-R161 PolarHBondContact O-N 3.1Å; V158-R161 WeakPolarHBondContact O-CB 3.43Å; V158-R161 PolarHBondContact O-N 3.33Å; F159-R161 VanDerWaalsContact C-N 3.3Å; F159-R161 PolarHBondContact O-N 3.21Å
162	H	91.3	Very high	91.2	Very high	99 Å²	99	67.7 Å²	67.7	46%	0.458	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	15	179.4	-66.9	-69.2	0	0	0	112.9	I107 V158 F159 S160 L164 L207	I107-H162 HydrophobicContact CD1-CB 4.28Å; V158-H162 PolarHBondContact O-CD2 2.67Å; V158-H162 VanDerWaalsContact O-CD2 3.28Å; V158-H162 PolarHBondContact O-N 2.95Å; F159-H162 CarbonylContact O-C 3.52Å; F159-H162 PolarHBondContact O-N 3.28Å; S160-H162 VanDerWaalsContact C-N 3.26Å; S160-H162 PolarHBondContact O-N 3.33Å; H162-L164 PolarHBondContact O-N 3.41Å; H162-L207 WeakPolarHBondContact O-CD1 3.3Å
163	N	91.4	Very high	90.9	Very high	86 Å²	86	70.6 Å²	70.6	46%	0.46	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	32.8	-178.3	-50.9	-71.6	0	0	0	113.5	F159 S160 H208	F159-N163 PolarHBondContact O-N 3.38Å; S160-N163 PolarHBondContact O-N 2.93Å; N163-H208 PolarHBondContact ND2-CE1 3.14Å; N163-H208 PolarHBondContact O-N 3.43Å
164	L	92.8	Very high	90.7	Very high	9 Å²	9	74.2 Å²	74.2	5%	0.047	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	110.7	165.1	-73.5	171.4	0	0	0	108.4	C111 F159 H162 Q206 L207 L212	C111-L164 HydrophobicContact CB-CD1 4.07Å; C111-L164 HydrophobicContact CB-CD2 4.19Å; F159-L164 HydrophobicContact CB-CB 3.79Å; F159-L164 HydrophobicContact CB-CD1 4.17Å; F159-L164 HydrophobicContact CD1-CD1 3.62Å; F159-L164 HydrophobicContact CE1-CD1 4.18Å; F159-L164 HydrophobicContact CG-CB 4.29Å; F159-L164 HydrophobicContact CG-CD1 3.95Å; F159-L164 WeakPolarHBondContact O-CB 3.45Å; F159-L164 PolarHBondContact O-N 3.49Å; H162-L164 PolarHBondContact O-N 3.41Å; L164-Q206 WeakPolarHBondContact CA-O 3.41Å; L164-L207 HydrophobicContact CD2-CB 3.77Å; L164-L207 HydrophobicContact CD2-CD1 3.72Å; L164-L207 HydrophobicContact CD2-CG 4.25Å; L164-L207 HydrophobicContact CG-CD1 4.07Å; L164-L212 HydrophobicContact CD2-CD2 4.4Å
165	V	91.7	Very high	90.5	Very high	85 Å²	85	71.7 Å²	71.7	52%	0.515	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.1	179.6	-177.6	0	0	0	0	108.9	Y205 Q206	V165-Y205 CarbonylContact O-C 3.53Å; V165-Y205 WeakPolarHBondContact O-CA 3.44Å; V165-Q206 PolarHBondContact N-O 3.36Å; V165-Q206 PolarHBondContact O-N 2.96Å
166	Q	91.9	Very high	90.4	Very high	92 Å²	92	73.5 Å²	73.5	43%	0.43	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	133.1	174.6	-172.3	176.5	39.6	0	0	109.7	V203 Y205	Q166-V203 HydrophobicContact CG-CB 4.36Å; Q166-V203 HydrophobicContact CG-CG1 3.26Å; Q166-Y205 HydrophobicContact CB-CD1 4.2Å; Q166-Y205 HydrophobicContact CB-CE1 3.89Å; Q166-Y205 HydrophobicContact CG-CD1 4.46Å; Q166-Y205 HydrophobicContact CG-CE1 3.94Å; Q166-Y205 PolarHBondContact NE2-OH 3.13Å
167	I	89.9	Confident	90.3	Very high	19 Å²	19	75.7 Å²	75.7	10%	0.097	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	101.1	174.9	-60.6	159.4	0	0	0	107	I179 V203 G204 Q206 A215	I167-I179 HydrophobicContact CB-CG2 4.25Å; I167-I179 HydrophobicContact CD1-CG2 3.58Å; I167-I179 HydrophobicContact CG1-CG2 4.09Å; I167-I179 HydrophobicContact CG2-CG2 3.27Å; I167-V203 WeakPolarHBondContact O-CG1 3.36Å; I167-G204 PolarHBondContact N-O 2.98Å; I167-G204 PolarHBondContact O-N 3.39Å; I167-Q206 HydrophobicContact CD1-CB 3.75Å; I167-Q206 HydrophobicContact CD1-CG 4.5Å; I167-Q206 HydrophobicContact CG1-CB 4.24Å; I167-A215 HydrophobicContact CG2-CB 4.31Å
168	S	87.2	Confident	90.2	Very high	70 Å²	70	77 Å²	77	49%	0.49	41%	0.414	S	S	.	.			trans	-123.3	92.2	173.4	-176.6	0	0	0	0	108.6
169	P	86.4	Confident	90.1	Very high	6 Å²	6	76.9 Å²	76.9	4%	0.039	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-64	146.1	177.2	27.2	-33.7	0	0	0	110.6	E173 H180 V197 V200 A215 V217	P169-E173 WeakPolarHBondContact CA-OE2 3.36Å; P169-E173 HydrophobicContact CB-CB 4.39Å; P169-E173 WeakPolarHBondContact CB-OE2 3.4Å; P169-H180 WeakPolarHBondContact CG-NE2 3.41Å; P169-V197 HydrophobicContact CB-CG2 4.23Å; P169-V197 HydrophobicContact CG-CG1 4.22Å; P169-V197 HydrophobicContact CG-CG2 4.27Å; P169-V200 HydrophobicContact CG-CG2 3.85Å; P169-V200 VanDerWaalsContact O-CG2 3.3Å; P169-V200 WeakPolarHBondContact O-CG2 3.28Å; P169-A215 HydrophobicContact CG-CB 4.49Å; P169-V217 HydrophobicContact CG-CG1 3.84Å
170	E	87.2	Confident	90.1	Very high	156 Å²	156	77 Å²	77	73%	0.729	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-76.8	154.8	175.8	-68.2	-172.7	179.8	0	0	111	G172 E173	E170-G172 PolarHBondContact O-N 2.94Å; E170-G172 VanDerWaalsContact O-N 3.16Å; E170-E173 PolarHBondContact N-OE2 3.2Å; E170-E173 VanDerWaalsContact N-OE2 3.12Å; E170-E173 WeakPolarHBondContact O-CB 3.4Å; E170-E173 PolarHBondContact O-N 3.02Å; E170-E173 VanDerWaalsContact O-N 3.08Å
171	V	85.4	Confident	90.3	Very high	83 Å²	83	77.5 Å²	77.5	50%	0.503	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	117.4	173.1	178.7	0	0	0	0	108	K192 A198	V171-K192 VanDerWaalsContact CG1-NZ 3.25Å; V171-A198 VanDerWaalsContact CG1-O 3.28Å; V171-A198 WeakPolarHBondContact CG1-O 3.41Å; V171-A198 WeakPolarHBondContact CG2-O 3.48Å
172	G	84.2	Confident	90.3	Very high	44 Å²	44	71.7 Å²	71.7	45%	0.454	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.7	-5	-172.8	0	0	0	0	0	114.7	E170 T196 V197	E170-G172 PolarHBondContact O-N 2.94Å; E170-G172 VanDerWaalsContact O-N 3.16Å; G172-T196 WeakPolarHBondContact O-CG2 3.45Å; G172-V197 PolarHBondContact N-O 3.37Å
173	E	88.1	Confident	90.4	Very high	87 Å²	87	70.8 Å²	70.8	41%	0.407	40%	0.396	S	S	.	.			trans	-80	149.6	175.7	-165.8	173.7	174.7	0	0	112.5	P169 E170 T196 V197	P169-E173 WeakPolarHBondContact CA-OE2 3.36Å; P169-E173 HydrophobicContact CB-CB 4.39Å; P169-E173 WeakPolarHBondContact CB-OE2 3.4Å; E170-E173 PolarHBondContact N-OE2 3.2Å; E170-E173 VanDerWaalsContact N-OE2 3.12Å; E170-E173 WeakPolarHBondContact O-CB 3.4Å; E170-E173 PolarHBondContact O-N 3.02Å; E170-E173 VanDerWaalsContact O-N 3.08Å; E173-T196 WeakPolarHBondContact O-CA 3.32Å; E173-T196 WeakPolarHBondContact O-CG2 3.42Å; E173-V197 PolarHBondContact O-N 3.07Å
174	H	90.2	Very high	90.4	Very high	117 Å²	117	70.8 Å²	70.8	54%	0.542	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-63.6	139.4	178.8	-164.7	70.2	0	0	0	111.5	D176	H174-D176 IonicContact CD2-OD1 3.69Å; H174-D176 PolarHBondContact O-N 3.36Å
175	F	91.7	Very high	90.4	Very high	39 Å²	39	77.4 Å²	77.4	17%	0.171	42%	0.422	C	S	.	.			trans	-75	110	177.3	175.6	-98.2	0	0	0	111.3	P177 H180 A182 N195 V217 V219	F175-P177 HydrophobicContact CD1-CG 4.31Å; F175-P177 HydrophobicContact CE1-CB 4.28Å; F175-P177 HydrophobicContact CE1-CG 3.95Å; F175-P177 WeakPolarHBondContact O-CD 3.5Å; F175-H180 HydrophobicContact CD2-CB 3.65Å; F175-H180 HydrophobicContact CE2-CB 3.37Å; F175-H180 HydrophobicContact CZ-CB 4.21Å; F175-H180 WeakPolarHBondContact CZ-O 3.38Å; F175-A182 HydrophobicContact CE2-CB 3.81Å; F175-A182 HydrophobicContact CZ-CB 3.84Å; F175-N195 WeakPolarHBondContact CB-O 3.46Å; F175-N195 PolarHBondContact N-O 2.89Å; F175-V217 HydrophobicContact CD2-CG2 3.64Å; F175-V217 HydrophobicContact CE2-CG2 3.63Å; F175-V219 HydrophobicContact CB-CG1 4.47Å; F175-V219 HydrophobicContact CB-CG2 4.46Å; F175-V219 HydrophobicContact CD2-CG2 3.67Å; F175-V219 HydrophobicContact CE2-CG2 4.12Å; F175-V219 HydrophobicContact CG-CG2 4.08Å
176	D	91.7	Very high	90.3	Very high	68 Å²	68	74.1 Å²	74.1	36%	0.364	41%	0.405	S	S	.	.			trans	-94.5	114.1	172.6	-74.7	-21.4	0	0	0	112.9	H174 N178 I179 H180	H174-D176 IonicContact CD2-OD1 3.69Å; H174-D176 PolarHBondContact O-N 3.36Å; D176-N178 PolarHBondContact O-N 3.44Å; D176-N178 VanDerWaalsContact O-N 3.08Å; D176-I179 PolarHBondContact O-N 3.17Å; D176-I179 VanDerWaalsContact O-N 3.14Å; D176-H180 PolarHBondContact N-ND1 3.27Å; D176-H180 WeakPolarHBondContact O-CB 3.49Å; D176-H180 PolarHBondContact O-N 2.75Å
177	P	91	Very high	90.1	Very high	100 Å²	100	75 Å²	75	65%	0.649	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18	-178	-22.4	32.6	0	0	0	115.4	F175 I179	F175-P177 HydrophobicContact CD1-CG 4.31Å; F175-P177 HydrophobicContact CE1-CB 4.28Å; F175-P177 HydrophobicContact CE1-CG 3.95Å; F175-P177 WeakPolarHBondContact O-CD 3.5Å; P177-I179 VanDerWaalsContact C-N 3.33Å
178	N	91.2	Very high	89.8	Confident	137 Å²	137	77.8 Å²	77.8	73%	0.733	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-22	179.7	-67.6	-38	0	0	0	112.7	D176	D176-N178 PolarHBondContact O-N 3.44Å; D176-N178 VanDerWaalsContact O-N 3.08Å
179	I	92	Very high	89.4	Confident	48 Å²	48	79.5 Å²	79.5	25%	0.246	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-26	-167.3	-59.1	-179.1	0	0	0	110.7	I167 D176 P177 P214 A215	I167-I179 HydrophobicContact CB-CG2 4.25Å; I167-I179 HydrophobicContact CD1-CG2 3.58Å; I167-I179 HydrophobicContact CG1-CG2 4.09Å; I167-I179 HydrophobicContact CG2-CG2 3.27Å; D176-I179 PolarHBondContact O-N 3.17Å; D176-I179 VanDerWaalsContact O-N 3.14Å; P177-I179 VanDerWaalsContact C-N 3.33Å; I179-P214 CarbonylContact O-C 3.55Å; I179-P214 WeakPolarHBondContact O-CA 3.45Å; I179-P214 VanDerWaalsContact O-CB 3.28Å; I179-P214 WeakPolarHBondContact O-CB 3.44Å; I179-A215 PolarHBondContact O-N 2.88Å
180	H	94	Very high	88.9	Confident	10 Å²	10	84.4 Å²	84.4	5%	0.046	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.5	-176.7	-54.2	150.7	0	0	0	111.7	P169 F175 D176 A215 V217	P169-H180 WeakPolarHBondContact CG-NE2 3.41Å; F175-H180 HydrophobicContact CD2-CB 3.65Å; F175-H180 HydrophobicContact CE2-CB 3.37Å; F175-H180 HydrophobicContact CZ-CB 4.21Å; F175-H180 WeakPolarHBondContact CZ-O 3.38Å; D176-H180 PolarHBondContact N-ND1 3.27Å; D176-H180 WeakPolarHBondContact O-CB 3.49Å; D176-H180 PolarHBondContact O-N 2.75Å; H180-A215 WeakPolarHBondContact CA-O 3.43Å; H180-V217 HydrophobicContact CB-CG2 3.92Å
181	E	94.5	Very high	88.4	Confident	94 Å²	94	81 Å²	81	44%	0.439	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.3	173	-175	172.3	171.6	0	0	109	V183 P214 A215 F216 V217	E181-V183 PolarHBondContact O-N 2.83Å; E181-P214 HydrophobicContact CB-CB 4.09Å; E181-P214 HydrophobicContact CB-CG 3.89Å; E181-P214 WeakPolarHBondContact OE2-CG 3.34Å; E181-A215 PolarHBondContact N-O 3.32Å; E181-F216 HydrophobicContact CB-CD1 4.05Å; E181-F216 HydrophobicContact CB-CE1 4.2Å; E181-F216 HydrophobicContact CG-CE1 4.4Å; E181-F216 WeakPolarHBondContact O-CA 3.49Å; E181-F216 WeakPolarHBondContact OE2-CE1 3.45Å; E181-V217 PolarHBondContact O-N 3.46Å
182	A	92.6	Very high	88.2	Confident	56 Å²	56	80.2 Å²	80.2	46%	0.463	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	107.7	-178.6	0	0	0	0	0	110.4	F175 V217 V219	F175-A182 HydrophobicContact CE2-CB 3.81Å; F175-A182 HydrophobicContact CZ-CB 3.84Å; A182-V217 CarbonylContact C-O 3.57Å; A182-V217 WeakPolarHBondContact CA-O 3.34Å; A182-V219 HydrophobicContact CB-CG2 3.6Å
183	V	93.5	Very high	88.1	Confident	80 Å²	80	85.2 Å²	85.2	49%	0.485	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-34.2	-176.8	-178.7	0	0	0	0	112.1	E181 F216 V217	E181-V183 PolarHBondContact O-N 2.83Å; V183-F216 HydrophobicContact CG2-CB 3.66Å; V183-F216 HydrophobicContact CG2-CD1 4.46Å; V183-F216 HydrophobicContact CG2-CD2 3.64Å; V183-F216 HydrophobicContact CG2-CE2 4.36Å; V183-F216 HydrophobicContact CG2-CG 3.69Å; V183-V217 PolarHBondContact N-O 3.11Å
184	F	92.2	Very high	88	Confident	86 Å²	86	86.3 Å²	86.3	38%	0.377	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	166.2	179.1	61.3	-88.9	0	0	0	111.4	V199 T201 G218 V219	F184-V199 HydrophobicContact CZ-CB 4.35Å; F184-T201 WeakPolarHBondContact CE1-OG1 3.21Å; F184-G218 CarbonylContact O-C 3.58Å; F184-G218 VanDerWaalsContact O-CA 3.24Å; F184-G218 WeakPolarHBondContact O-CA 3.27Å; F184-V219 PolarHBondContact O-N 3.35Å
185	Q	91.8	Very high	87.9	Confident	148 Å²	148	85.7 Å²	85.7	69%	0.692	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.8	174.8	-65.9	177.9	15.7	0	0	110	V219	Q185-V219 CarbonylContact C-O 3.52Å; Q185-V219 VanDerWaalsContact CA-O 3.22Å; Q185-V219 WeakPolarHBondContact CA-O 3.47Å
186	A	88.9	Confident	87.9	Confident	17 Å²	17	84.1 Å²	84.1	14%	0.14	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	148.7	173.5	0	0	0	0	0	110.1	A198 V219 F220 G221	A186-A198 HydrophobicContact CB-CB 3.68Å; A186-V219 PolarHBondContact N-O 3.13Å; A186-F220 HydrophobicContact CB-CD1 4.32Å; A186-F220 HydrophobicContact CB-CE1 4.38Å; A186-G221 PolarHBondContact O-N 3.02Å
187	P	88.9	Confident	87.9	Confident	109 Å²	109	80.9 Å²	80.9	71%	0.708	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-61.5	144.5	174.9	27.2	-34.5	0	0	0	110.7	E189 F220	P187-E189 PolarHBondContact O-N 3.49Å; P187-F220 WeakPolarHBondContact O-CD1 3.48Å
188	L	82.5	Confident	87.9	Confident	79 Å²	79	76.5 Å²	76.5	41%	0.414	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-65.3	116.5	-179.5	-168.9	67	0	0	0	110.9	K192 K194 F220	L188-K192 WeakPolarHBondContact CD1-O 3.41Å; L188-K194 HydrophobicContact CD1-CG 4.38Å; L188-F220 HydrophobicContact CD1-CB 3.99Å; L188-F220 HydrophobicContact CD1-CG 4.38Å
189	E	79.9	Confident	87.9	Confident	105 Å²	105	73.5 Å²	73.5	49%	0.491	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-83.3	147.6	172.8	-69.2	177.4	172.2	0	0	110.9	P187 G191 K192 F220	P187-E189 PolarHBondContact O-N 3.49Å; E189-G191 PolarHBondContact O-N 2.75Å; E189-K192 HydrophobicContact CB-CD 4.38Å; E189-K192 PolarHBondContact O-N 3.31Å; E189-K192 WeakPolarHBondContact OE2-CE 3.5Å; E189-K192 IonicContact OE2-NZ 3.33Å; E189-K192 PolarHBondContact OE2-NZ 3.04Å; E189-F220 HydrophobicContact CB-CE1 4.34Å; E189-F220 HydrophobicContact CG-CE1 4.13Å
190	A	76.4	Confident	87.9	Confident	110 Å²	110	73 Å²	73	91%	0.909	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	121.1	179.2	0	0	0	0	0	110.9
191	G	76.4	Confident	87.7	Confident	85 Å²	85	76.4 Å²	76.4	88%	0.876	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.8	-0.1	178.3	0	0	0	0	0	115.7	E189	E189-G191 PolarHBondContact O-N 2.75Å
192	K	79.7	Confident	87.6	Confident	66 Å²	66	76.7 Å²	76.7	29%	0.287	44%	0.442	S	S	.	.			trans	-106.1	148.7	174.4	-63.6	-174.8	-177.1	165	0	111.4	V171 L188 E189 F220	V171-K192 VanDerWaalsContact CG1-NZ 3.25Å; L188-K192 WeakPolarHBondContact CD1-O 3.41Å; E189-K192 HydrophobicContact CB-CD 4.38Å; E189-K192 PolarHBondContact O-N 3.31Å; E189-K192 WeakPolarHBondContact OE2-CE 3.5Å; E189-K192 IonicContact OE2-NZ 3.33Å; E189-K192 PolarHBondContact OE2-NZ 3.04Å; K192-F220 HydrophobicContact CB-CD2 4.18Å; K192-F220 HydrophobicContact CB-CE2 4Å; K192-F220 HydrophobicContact CB-CZ 4.33Å; K192-F220 HydrophobicContact CD-CD2 4.31Å; K192-F220 HydrophobicContact CD-CE1 4.15Å; K192-F220 HydrophobicContact CD-CE2 3.33Å; K192-F220 HydrophobicContact CD-CZ 3.23Å; K192-F220 HydrophobicContact CG-CE2 4.27Å; K192-F220 HydrophobicContact CG-CZ 4.4Å
193	E	83.4	Confident	87.6	Confident	149 Å²	149	75.5 Å²	75.5	70%	0.696	43%	0.429	S	S	*	.			trans	-88	158.6	-178	-63.1	-175.5	172.6	0	0	112	T196	E193-T196 WeakPolarHBondContact O-CB 3.25Å; E193-T196 PolarHBondContact O-OG1 2.83Å
194	K	86.6	Confident	87.6	Confident	110 Å²	110	71.7 Å²	71.7	48%	0.478	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	149.8	174.6	-62.3	-170.2	177.8	-158.1	0	110	L188 T196 P222	L188-K194 HydrophobicContact CD1-CG 4.38Å; K194-T196 PolarHBondContact O-N 3.46Å; K194-P222 PolarHBondContact NZ-OXT 3.37Å
195	N	87.1	Confident	87.8	Confident	104 Å²	104	67.8 Å²	67.8	56%	0.556	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	26.2	-177.4	-55.6	-36.4	0	0	0	114.6	F175 F220	F175-N195 WeakPolarHBondContact CB-O 3.46Å; F175-N195 PolarHBondContact N-O 2.89Å; N195-F220 PolarHBondContact N-O 2.94Å
196	T	90.9	Very high	87.8	Confident	6 Å²	6	63 Å²	63	4%	0.037	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-108	151.3	178.8	-57.6	0	0	0	0	110	G172 E173 E193 K194 A198 V219 F220	G172-T196 WeakPolarHBondContact O-CG2 3.45Å; E173-T196 WeakPolarHBondContact O-CA 3.32Å; E173-T196 WeakPolarHBondContact O-CG2 3.42Å; E193-T196 WeakPolarHBondContact O-CB 3.25Å; E193-T196 PolarHBondContact O-OG1 2.83Å; K194-T196 PolarHBondContact O-N 3.46Å; T196-A198 PolarHBondContact O-N 3.3Å; T196-V219 WeakPolarHBondContact O-CA 3.35Å; T196-F220 VanDerWaalsContact O-CD2 3.29Å; T196-F220 WeakPolarHBondContact O-CD2 3.48Å; T196-F220 PolarHBondContact O-N 2.97Å
197	V	91.6	Very high	88.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	121.2	179.7	175.9	0	0	0	0	110.4	P169 G172 E173 V200 V217	P169-V197 HydrophobicContact CB-CG2 4.23Å; P169-V197 HydrophobicContact CG-CG1 4.22Å; P169-V197 HydrophobicContact CG-CG2 4.27Å; G172-V197 PolarHBondContact N-O 3.37Å; E173-V197 PolarHBondContact O-N 3.07Å; V197-V200 HydrophobicContact CG1-CG2 4.08Å; V197-V217 HydrophobicContact CG1-CB 4.06Å; V197-V217 HydrophobicContact CG1-CG1 3.99Å; V197-V217 HydrophobicContact CG2-CB 4.38Å; V197-V217 HydrophobicContact CG2-CG1 4.36Å; V197-V217 HydrophobicContact CG2-CG2 4.36Å
198	A	91	Very high	88.2	Confident	7 Å²	7	61 Å²	61	6%	0.058	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-51.3	177.6	0	0	0	0	0	112.1	V171 A186 T196 G218 F220	V171-A198 VanDerWaalsContact CG1-O 3.28Å; V171-A198 WeakPolarHBondContact CG1-O 3.41Å; V171-A198 WeakPolarHBondContact CG2-O 3.48Å; A186-A198 HydrophobicContact CB-CB 3.68Å; T196-A198 PolarHBondContact O-N 3.3Å; A198-G218 WeakPolarHBondContact CB-O 3.49Å; A198-G218 PolarHBondContact N-O 3.44Å; A198-F220 VanDerWaalsContact CA-CZ 3.45Å; A198-F220 HydrophobicContact CB-CD1 3.93Å; A198-F220 HydrophobicContact CB-CD2 3.9Å; A198-F220 HydrophobicContact CB-CE1 3.54Å; A198-F220 HydrophobicContact CB-CE2 3.49Å; A198-F220 VanDerWaalsContact CB-CE2 3.49Å; A198-F220 HydrophobicContact CB-CG 4.09Å; A198-F220 HydrophobicContact CB-CZ 3.28Å
199	V	91.2	Very high	88.4	Confident	74 Å²	74	59.7 Å²	59.7	45%	0.448	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	134.1	-175.6	178.9	0	0	0	0	109.1	F184 V217 G218	F184-V199 HydrophobicContact CZ-CB 4.35Å; V199-V217 CarbonylContact O-C 3.52Å; V199-V217 WeakPolarHBondContact O-CA 3.46Å; V199-G218 PolarHBondContact N-O 2.99Å; V199-G218 PolarHBondContact O-N 3.37Å
200	V	91.9	Very high	89	Confident	39 Å²	39	60.8 Å²	60.8	24%	0.236	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.6	170.4	-173.5	0	0	0	0	108.7	P169 V197 V217	P169-V200 HydrophobicContact CG-CG2 3.85Å; P169-V200 VanDerWaalsContact O-CG2 3.3Å; P169-V200 WeakPolarHBondContact O-CG2 3.28Å; V197-V200 HydrophobicContact CG1-CG2 4.08Å; V200-V217 HydrophobicContact CG1-CG1 4.47Å; V200-V217 HydrophobicContact CG2-CG1 4.11Å
201	T	91.2	Very high	89.7	Confident	81 Å²	81	58 Å²	58	50%	0.497	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-45.9	177.7	-54.5	0	0	0	0	111.4	F184 F216	F184-T201 WeakPolarHBondContact CE1-OG1 3.21Å; T201-F216 PolarHBondContact N-O 3.49Å
202	K	91.8	Very high	90.5	Very high	100 Å²	100	54.8 Å²	54.8	44%	0.435	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.3	174.8	-58	-172.3	175.9	-174.7	0	109.7	F216	K202-F216 HydrophobicContact CB-CB 3.93Å; K202-F216 HydrophobicContact CB-CD2 4.48Å; K202-F216 HydrophobicContact CB-CG 4.23Å; K202-F216 HydrophobicContact CD-CD2 3.99Å; K202-F216 HydrophobicContact CD-CE2 4.4Å; K202-F216 HydrophobicContact CG-CB 4.4Å; K202-F216 HydrophobicContact CG-CD2 4.33Å; K202-F216 PolarHBondContact N-O 3.44Å; K202-F216 PolarHBondContact O-N 3.06Å
203	V	92.7	Very high	91.2	Very high	31 Å²	31	53.6 Å²	53.6	19%	0.188	28%	0.279	C	S	.	.			trans	-79.2	139.1	-178.5	-162.6	0	0	0	0	110.1	Q166 I167 R213	Q166-V203 HydrophobicContact CG-CB 4.36Å; Q166-V203 HydrophobicContact CG-CG1 3.26Å; I167-V203 WeakPolarHBondContact O-CG1 3.36Å; V203-R213 PolarHBondContact O-NE 3.08Å; V203-R213 PolarHBondContact O-NH2 3.14Å
204	G	93.8	Very high	91.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	165	176.6	0	0	0	0	0	111.9	I167 R213	I167-G204 PolarHBondContact N-O 2.98Å; I167-G204 PolarHBondContact O-N 3.39Å; G204-R213 CarbonylContact C-O 3.59Å; G204-R213 WeakPolarHBondContact CA-O 3.42Å
205	Y	95.1	Very high	92.1	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.3	175.5	-70.3	-91.6	0	0	0	111.5	L115 F156 F159 V165 Q166 L212 R213	L115-Y205 HydrophobicContact CD1-CD2 3.72Å; L115-Y205 HydrophobicContact CD1-CG 3.98Å; L115-Y205 HydrophobicContact CD2-CD1 3.83Å; L115-Y205 HydrophobicContact CD2-CD2 3.4Å; L115-Y205 VanDerWaalsContact CD2-CD2 3.4Å; L115-Y205 HydrophobicContact CD2-CE1 4.11Å; L115-Y205 HydrophobicContact CD2-CE2 3.7Å; L115-Y205 HydrophobicContact CD2-CG 3.46Å; L115-Y205 VanDerWaalsContact CD2-CG 3.46Å; L115-Y205 HydrophobicContact CG-CD2 4.08Å; L115-Y205 HydrophobicContact CG-CG 4.35Å; F156-Y205 WeakPolarHBondContact CE1-OH 3.34Å; F159-Y205 HydrophobicContact CD2-CE1 4.06Å; F159-Y205 HydrophobicContact CE2-CE1 4.24Å; V165-Y205 CarbonylContact O-C 3.53Å; V165-Y205 WeakPolarHBondContact O-CA 3.44Å; Q166-Y205 HydrophobicContact CB-CD1 4.2Å; Q166-Y205 HydrophobicContact CB-CE1 3.89Å; Q166-Y205 HydrophobicContact CG-CD1 4.46Å; Q166-Y205 HydrophobicContact CG-CE1 3.94Å; Q166-Y205 PolarHBondContact NE2-OH 3.13Å; Y205-L212 WeakPolarHBondContact O-CB 3.37Å; Y205-L212 PolarHBondContact O-N 3.36Å; Y205-R213 PolarHBondContact N-O 3.18Å; Y205-R213 PolarHBondContact O-N 3.4Å
206	Q	93.7	Very high	92.4	Very high	48 Å²	48	40.6 Å²	40.6	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.3	-179.3	-159.8	178.6	23.2	0	0	110.2	L164 V165 I167 G209 R210	L164-Q206 WeakPolarHBondContact CA-O 3.41Å; V165-Q206 PolarHBondContact N-O 3.36Å; V165-Q206 PolarHBondContact O-N 2.96Å; I167-Q206 HydrophobicContact CD1-CB 3.75Å; I167-Q206 HydrophobicContact CD1-CG 4.5Å; I167-Q206 HydrophobicContact CG1-CB 4.24Å; Q206-G209 VanDerWaalsContact CG-C 3.48Å; Q206-G209 VanDerWaalsContact NE2-CA 3.26Å; Q206-G209 PolarHBondContact NE2-O 2.94Å; Q206-R210 CarbonylContact C-O 3.57Å; Q206-R210 WeakPolarHBondContact CA-O 3.46Å; Q206-R210 VanDerWaalsContact CG-O 3.24Å; Q206-R210 WeakPolarHBondContact CG-O 3.28Å
207	L	94.1	Very high	92.6	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119	173.4	179.1	62.4	0	0	0	108.7	F105 I107 Q108 H162 L164 G209 R210	F105-L207 HydrophobicContact CD1-CD2 4Å; F105-L207 HydrophobicContact CD1-CG 4.36Å; F105-L207 HydrophobicContact CE1-CG 4.46Å; I107-L207 HydrophobicContact CD1-CD1 4.18Å; I107-L207 HydrophobicContact CD1-CD2 4.46Å; I107-L207 HydrophobicContact CG1-CD2 4.02Å; Q108-L207 HydrophobicContact CB-CD2 4.34Å; H162-L207 WeakPolarHBondContact O-CD1 3.3Å; L164-L207 HydrophobicContact CD2-CB 3.77Å; L164-L207 HydrophobicContact CD2-CD1 3.72Å; L164-L207 HydrophobicContact CD2-CG 4.25Å; L164-L207 HydrophobicContact CG-CD1 4.07Å; L207-G209 PolarHBondContact O-N 3.19Å; L207-G209 VanDerWaalsContact O-N 3.09Å; L207-R210 PolarHBondContact N-O 3.49Å; L207-R210 PolarHBondContact O-N 3.46Å
208	H	90.7	Very high	92.7	Very high	81 Å²	81	40.3 Å²	40.3	38%	0.375	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	38.5	177.4	-67.5	-71.2	0	0	0	114.2	F105 N163 R210	F105-H208 HydrophobicContact CE1-CB 4.28Å; F105-H208 HydrophobicContact CZ-CB 4.37Å; N163-H208 PolarHBondContact ND2-CE1 3.14Å; N163-H208 PolarHBondContact O-N 3.43Å; H208-R210 VanDerWaalsContact C-N 3.34Å; H208-R210 PolarHBondContact O-N 3.32Å
209	G	88.2	Confident	92.8	Very high	52 Å²	52	40.5 Å²	40.5	54%	0.536	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-2.7	-178.5	0	0	0	0	0	115.3	Q206 L207	Q206-G209 VanDerWaalsContact CG-C 3.48Å; Q206-G209 VanDerWaalsContact NE2-CA 3.26Å; Q206-G209 PolarHBondContact NE2-O 2.94Å; L207-G209 PolarHBondContact O-N 3.19Å; L207-G209 VanDerWaalsContact O-N 3.09Å
210	R	91.2	Very high	92.8	Very high	128 Å²	128	37.1 Å²	37.1	48%	0.483	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.4	173.5	-171.4	177.7	-177.2	-151.8	2.9	111.2	F105 Q206 L207 H208 L212	F105-R210 HydrophobicContact CE1-CB 3.74Å; F105-R210 HydrophobicContact CZ-CB 4.12Å; Q206-R210 CarbonylContact C-O 3.57Å; Q206-R210 WeakPolarHBondContact CA-O 3.46Å; Q206-R210 VanDerWaalsContact CG-O 3.24Å; Q206-R210 WeakPolarHBondContact CG-O 3.28Å; L207-R210 PolarHBondContact N-O 3.49Å; L207-R210 PolarHBondContact O-N 3.46Å; H208-R210 VanDerWaalsContact C-N 3.34Å; H208-R210 PolarHBondContact O-N 3.32Å; R210-L212 PolarHBondContact O-N 2.93Å
211	P	92	Very high	92.4	Very high	52 Å²	52	35.6 Å²	35.6	34%	0.338	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	124	177.3	26.8	-33.7	0	0	0	109.6
212	L	93.2	Very high	91.3	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.089	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-44.1	176.5	-175.4	55.6	0	0	0	111.1	Q108 C111 K112 L115 L164 Y205 R210	Q108-L212 HydrophobicContact CG-CD1 3.22Å; C111-L212 HydrophobicContact CB-CD2 3.47Å; C111-L212 VanDerWaalsContact CB-CD2 3.47Å; K112-L212 HydrophobicContact CD-CD1 4.08Å; K112-L212 HydrophobicContact CG-CD1 3.51Å; K112-L212 HydrophobicContact CG-CD2 4Å; K112-L212 HydrophobicContact CG-CG 3.76Å; L115-L212 HydrophobicContact CD1-CD2 4Å; L115-L212 HydrophobicContact CD1-CG 4.31Å; L164-L212 HydrophobicContact CD2-CD2 4.4Å; Y205-L212 WeakPolarHBondContact O-CB 3.37Å; Y205-L212 PolarHBondContact O-N 3.36Å; R210-L212 PolarHBondContact O-N 2.93Å
213	R	93.5	Very high	91.3	Very high	41 Å²	41	35.3 Å²	35.3	16%	0.155	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	123.2	173.8	-177.9	177.7	73.4	-177.6	8.6	107.2	L115 D119 V203 G204 Y205	L115-R213 HydrophobicContact CD1-CB 4.03Å; D119-R213 IonicContact OD1-CZ 3.29Å; D119-R213 IonicContact OD1-NH1 2.64Å; D119-R213 IonicContact OD1-NH2 3.96Å; D119-R213 PolarHBondContact OD1-NH2 3.18Å; D119-R213 IonicContact OD2-CZ 2.79Å; D119-R213 VanDerWaalsContact OD2-CZ 3.29Å; D119-R213 IonicContact OD2-NH1 3.18Å; D119-R213 PolarHBondContact OD2-NH1 2.77Å; D119-R213 IonicContact OD2-NH2 2.73Å; D119-R213 PolarHBondContact OD2-NH2 3.04Å; V203-R213 PolarHBondContact O-NE 3.08Å; V203-R213 PolarHBondContact O-NH2 3.14Å; G204-R213 CarbonylContact C-O 3.59Å; G204-R213 WeakPolarHBondContact CA-O 3.42Å; Y205-R213 PolarHBondContact N-O 3.18Å; Y205-R213 PolarHBondContact O-N 3.4Å
214	P	94.3	Very high	91.2	Very high	38 Å²	38	35.5 Å²	35.5	25%	0.247	20%	0.198	C	C	.	.			trans	-65.8	156.1	175.5	29.5	-34.4	0	0	0	110.7	I179 E181 F216	I179-P214 CarbonylContact O-C 3.55Å; I179-P214 WeakPolarHBondContact O-CA 3.45Å; I179-P214 VanDerWaalsContact O-CB 3.28Å; I179-P214 WeakPolarHBondContact O-CB 3.44Å; E181-P214 HydrophobicContact CB-CB 4.09Å; E181-P214 HydrophobicContact CB-CG 3.89Å; E181-P214 WeakPolarHBondContact OE2-CG 3.34Å; P214-F216 HydrophobicContact CG-CE1 4.35Å
215	A	94.4	Very high	91.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.6	172.5	0	0	0	0	0	109.4	I167 P169 I179 H180 E181 V217	I167-A215 HydrophobicContact CG2-CB 4.31Å; P169-A215 HydrophobicContact CG-CB 4.49Å; I179-A215 PolarHBondContact O-N 2.88Å; H180-A215 WeakPolarHBondContact CA-O 3.43Å; E181-A215 PolarHBondContact N-O 3.32Å; A215-V217 HydrophobicContact CB-CG1 4.21Å; A215-V217 PolarHBondContact O-N 3.11Å
216	F	94.5	Very high	90.9	Very high	52 Å²	52	39.5 Å²	39.5	23%	0.228	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.4	177.3	-76.6	17.6	0	0	0	108.1	E181 V183 T201 K202 P214	E181-F216 HydrophobicContact CB-CD1 4.05Å; E181-F216 HydrophobicContact CB-CE1 4.2Å; E181-F216 HydrophobicContact CG-CE1 4.4Å; E181-F216 WeakPolarHBondContact O-CA 3.49Å; E181-F216 WeakPolarHBondContact OE2-CE1 3.45Å; V183-F216 HydrophobicContact CG2-CB 3.66Å; V183-F216 HydrophobicContact CG2-CD1 4.46Å; V183-F216 HydrophobicContact CG2-CD2 3.64Å; V183-F216 HydrophobicContact CG2-CE2 4.36Å; V183-F216 HydrophobicContact CG2-CG 3.69Å; T201-F216 PolarHBondContact N-O 3.49Å; K202-F216 HydrophobicContact CB-CB 3.93Å; K202-F216 HydrophobicContact CB-CD2 4.48Å; K202-F216 HydrophobicContact CB-CG 4.23Å; K202-F216 HydrophobicContact CD-CD2 3.99Å; K202-F216 HydrophobicContact CD-CE2 4.4Å; K202-F216 HydrophobicContact CG-CB 4.4Å; K202-F216 HydrophobicContact CG-CD2 4.33Å; K202-F216 PolarHBondContact N-O 3.44Å; K202-F216 PolarHBondContact O-N 3.06Å; P214-F216 HydrophobicContact CG-CE1 4.35Å
217	V	94.8	Very high	90.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.6	-173	-60.4	0	0	0	0	111.1	P169 F175 H180 E181 A182 V183 V197 V199 V200 A215 V219	P169-V217 HydrophobicContact CG-CG1 3.84Å; F175-V217 HydrophobicContact CD2-CG2 3.64Å; F175-V217 HydrophobicContact CE2-CG2 3.63Å; H180-V217 HydrophobicContact CB-CG2 3.92Å; E181-V217 PolarHBondContact O-N 3.46Å; A182-V217 CarbonylContact C-O 3.57Å; A182-V217 WeakPolarHBondContact CA-O 3.34Å; V183-V217 PolarHBondContact N-O 3.11Å; V197-V217 HydrophobicContact CG1-CB 4.06Å; V197-V217 HydrophobicContact CG1-CG1 3.99Å; V197-V217 HydrophobicContact CG2-CB 4.38Å; V197-V217 HydrophobicContact CG2-CG1 4.36Å; V197-V217 HydrophobicContact CG2-CG2 4.36Å; V199-V217 CarbonylContact O-C 3.52Å; V199-V217 WeakPolarHBondContact O-CA 3.46Å; V200-V217 HydrophobicContact CG1-CG1 4.47Å; V200-V217 HydrophobicContact CG2-CG1 4.11Å; A215-V217 HydrophobicContact CB-CG1 4.21Å; A215-V217 PolarHBondContact O-N 3.11Å; V217-V219 HydrophobicContact CG2-CG2 4.15Å
218	G	93.4	Very high	90.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.1	159.6	0	0	0	0	0	108.9	F184 A198 V199	F184-G218 CarbonylContact O-C 3.58Å; F184-G218 VanDerWaalsContact O-CA 3.24Å; F184-G218 WeakPolarHBondContact O-CA 3.27Å; A198-G218 WeakPolarHBondContact CB-O 3.49Å; A198-G218 PolarHBondContact N-O 3.44Å; V199-G218 PolarHBondContact N-O 2.99Å; V199-G218 PolarHBondContact O-N 3.37Å
219	V	93.6	Very high	90.5	Very high	11 Å²	11	38.6 Å²	38.6	7%	0.067	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.7	-179	-173.6	0	0	0	0	109.5	F175 A182 F184 Q185 A186 T196 V217 G221	F175-V219 HydrophobicContact CB-CG1 4.47Å; F175-V219 HydrophobicContact CB-CG2 4.46Å; F175-V219 HydrophobicContact CD2-CG2 3.67Å; F175-V219 HydrophobicContact CE2-CG2 4.12Å; F175-V219 HydrophobicContact CG-CG2 4.08Å; A182-V219 HydrophobicContact CB-CG2 3.6Å; F184-V219 PolarHBondContact O-N 3.35Å; Q185-V219 CarbonylContact C-O 3.52Å; Q185-V219 VanDerWaalsContact CA-O 3.22Å; Q185-V219 WeakPolarHBondContact CA-O 3.47Å; A186-V219 PolarHBondContact N-O 3.13Å; T196-V219 WeakPolarHBondContact O-CA 3.35Å; V217-V219 HydrophobicContact CG2-CG2 4.15Å; V219-G221 PolarHBondContact O-N 3.38Å; V219-G221 VanDerWaalsContact O-N 3.13Å
220	F	91.2	Very high	90.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	111.9	172.8	-69.5	-68.1	0	0	0	110.9	A186 P187 L188 E189 K192 N195 T196 A198	A186-F220 HydrophobicContact CB-CD1 4.32Å; A186-F220 HydrophobicContact CB-CE1 4.38Å; P187-F220 WeakPolarHBondContact O-CD1 3.48Å; L188-F220 HydrophobicContact CD1-CB 3.99Å; L188-F220 HydrophobicContact CD1-CG 4.38Å; E189-F220 HydrophobicContact CB-CE1 4.34Å; E189-F220 HydrophobicContact CG-CE1 4.13Å; K192-F220 HydrophobicContact CB-CD2 4.18Å; K192-F220 HydrophobicContact CB-CE2 4Å; K192-F220 HydrophobicContact CB-CZ 4.33Å; K192-F220 HydrophobicContact CD-CD2 4.31Å; K192-F220 HydrophobicContact CD-CE1 4.15Å; K192-F220 HydrophobicContact CD-CE2 3.33Å; K192-F220 HydrophobicContact CD-CZ 3.23Å; K192-F220 HydrophobicContact CG-CE2 4.27Å; K192-F220 HydrophobicContact CG-CZ 4.4Å; N195-F220 PolarHBondContact N-O 2.94Å; T196-F220 VanDerWaalsContact O-CD2 3.29Å; T196-F220 WeakPolarHBondContact O-CD2 3.48Å; T196-F220 PolarHBondContact O-N 2.97Å; A198-F220 VanDerWaalsContact CA-CZ 3.45Å; A198-F220 HydrophobicContact CB-CD1 3.93Å; A198-F220 HydrophobicContact CB-CD2 3.9Å; A198-F220 HydrophobicContact CB-CE1 3.54Å; A198-F220 HydrophobicContact CB-CE2 3.49Å; A198-F220 VanDerWaalsContact CB-CE2 3.49Å; A198-F220 HydrophobicContact CB-CG 4.09Å; A198-F220 HydrophobicContact CB-CZ 3.28Å
221	G	83.5	Confident	90.6	Very high	7 Å²	7	30 Å²	30	7%	0.072	18%	0.176	C	C	.	.			trans	-81.5	166.8	175.5	0	0	0	0	0	112.4	A186 V219	A186-G221 PolarHBondContact O-N 3.02Å; V219-G221 PolarHBondContact O-N 3.38Å; V219-G221 VanDerWaalsContact O-N 3.13Å
222	P	68.5	Low	90.4	Very high	140 Å²	140	28 Å²	28	91%	0.909	16%	0.161	S	C	*	.			trans	-62.4	0	-176.5	26.5	-35	0	0	0	115.1	K194	K194-P222 PolarHBondContact NZ-OXT 3.37Å

Retrieved 222 of 222 residues in 391.3 ms (Link to these results)

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